7R1

(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Created:	2016-11-30
Last modified:	2017-08-30

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1 entries where 7R1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of 7R1

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Chemical Component Summary
Name	(5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Systematic Name (OpenEye OEToolkits)	(5~{R})-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula	C₁₂ H₁₃ N O₃ S₂
Molecular Weight	283.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc(c1CC2C(NC(=S)S2)=O)OC)OC
SMILES	CACTVS	3.385	COc1ccc(C[CH]2SC(=S)NC2=O)c(OC)c1
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(c(c1)OC)CC2C(=O)NC(=S)S2
Canonical SMILES	CACTVS	3.385	COc1ccc(C[C@H]2SC(=S)NC2=O)c(OC)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2
InChI	InChI	1.03	InChI=1S/C12H13NO3S2/c1-15-8-4-3-7(9(6-8)16-2)5-10-11(14)13-12(17)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,17)/t10-/m1/s1
InChIKey	InChI	1.03	VFBHENTYUHYMTR-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	129900145

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