dimethyl 2-[[chloranyl(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[[chloranyl(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[[chloro(phenyl)methyl]-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[[chloro(phenyl)methyl]-mercaptoamino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[chloro(phenyl)methyl]-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[[chloro(phenyl)methyl]-mercapto-thiocarbamoyl]succinic acid dimethyl ester Formula: C14H16ClNO4S2 MolecularWeight: 361.86414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)N(C(C1=CC=CC=C1)Cl)S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)N(C(C1=CC=CC=C1)Cl)S)C(=O)OC

InChI

InChI=1S/C14H16ClNO4S2/c1-19-11(17)8-10(14(18)20-2)13(21)16(22)12(15)9-6-4-3-5-7-9/h3-7,10,12,22H,8H2,1-2H3