ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]-3-oxo-butanoate CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamothioylsulfanyl]-3-oxobutanoate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylthio]-3-keto-butyric acid ethyl ester Formula: C13H14ClNO3S2 MolecularWeight: 331.83816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC(=S)NC1=CC=C(C=C1)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC(=S)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H14ClNO3S2/c1-3-18-12(17)11(8(2)16)20-13(19)15-10-6-4-9(14)5-7-10/h4-7,11H,3H2,1-2H3,(H,15,19)