methyl 3-[[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C19H20ClNO3S/c1-12-7-13(2)18(16(20)8-12)21-17(22)11-25-10-14-5-4-6-15(9-14)19(23)24-3/h4-9H,10-11H2,1-3H3,(H,21,22)