dimethyl 2-[1-chloranyl-2-[(3-methylphenyl)amino]-2-sulfanylidene-ethylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-chloranyl-2-[(3-methylphenyl)amino]-2-sulfanylidene-ethylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-chloro-2-(3-methylanilino)-2-thioxo-ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-chloro-2-(m-toluidino)-2-thioxo-ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C16H14ClNO4S3 MolecularWeight: 415.93466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C16H14ClNO4S3/c1-8-5-4-6-9(7-8)18-13(23)10(17)16-24-11(14(19)21-2)12(25-16)15(20)22-3/h4-7H,1-3H3,(H,18,23)