dimethyl 2-[(3-methylphenyl)-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[(3-methylphenyl)-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[m-tolyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[(N-mercapto-3-methylanilino)-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-methylphenyl)-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[mercapto(m-tolyl)thiocarbamoyl]succinic acid dimethyl ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(=S)C(CC(=O)OC)C(=O)OC)S

Isomeric SMILES

CC1=CC(=CC=C1)N(C(=S)C(CC(=O)OC)C(=O)OC)S

InChI

InChI=1S/C14H17NO4S2/c1-9-5-4-6-10(7-9)15(21)13(20)11(14(17)19-3)8-12(16)18-2/h4-7,11,21H,8H2,1-3H3