dimethyl 2-(4-chlorophenyl)carbothioylimino-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(4-chlorophenyl)carbothioylimino-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(4-chlorobenzenecarbothioyl)imino-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(4-chlorophenyl)-sulfanylidenemethyl]imino-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-chlorobenzenecarbothioyl)imino-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(4-chlorothiobenzoyl)imino-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C14H10ClNO4S3 MolecularWeight: 387.8815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=NC(=S)C2=CC=C(C=C2)Cl)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=NC(=S)C2=CC=C(C=C2)Cl)S1)C(=O)OC

InChI

InChI=1S/C14H10ClNO4S3/c1-19-12(17)9-10(13(18)20-2)23-14(22-9)16-11(21)7-3-5-8(15)6-4-7/h3-6H,1-2H3