methyl 2-[(Z)-C-chloranyl-N-[(phenylmethyl)carbamoyl]carbonimidoyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(Z)-C-chloranyl-N-[(phenylmethyl)carbamoyl]carbonimidoyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(Z)-N-(benzylcarbamoyl)-C-chloro-carbonimidoyl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[(Z)-chloro-[oxo-[(phenylmethyl)amino]methyl]iminomethyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(Z)-N-(benzylcarbamoyl)-C-chlorocarbonimidoyl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[(Z)-N-(benzylcarbamoyl)-C-chloro-carbonimidoyl]thio]-3-keto-butyric acid methyl ester Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)SC(=NC(=O)NCC1=CC=CC=C1)Cl

Isomeric SMILES

CC(=O)C(C(=O)OC)S/C(=N/C(=O)NCC1=CC=CC=C1)/Cl

InChI

InChI=1S/C14H15ClN2O4S/c1-9(18)11(12(19)21-2)22-13(15)17-14(20)16-8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,20)/b17-13+