dimethyl 2-[phenyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[phenyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: dimethyl 2-[phenyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[(N-mercaptoanilino)-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[phenyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[mercapto(phenyl)thiocarbamoyl]succinic acid dimethyl ester Formula: C13H15NO4S2 MolecularWeight: 313.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S2/c1-17-11(15)8-10(13(16)18-2)12(19)14(20)9-6-4-3-5-7-9/h3-7,10,20H,8H2,1-2H3