methyl 4-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-(1-carbamoylvinylsulfanyl)-4-oxo-butanoate CAS Name: 4-[(3-amino-3-oxoprop-1-en-2-yl)thio]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-amino-3-oxoprop-1-en-2-yl)sulfanyl-4-oxobutanoate Traditional Name: 4-(1-carbamoylvinylthio)-4-keto-butyric acid methyl ester Formula: C8H11NO4S MolecularWeight: 217.24224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)SC(=C)C(=O)N

Isomeric SMILES

COC(=O)CCC(=O)SC(=C)C(=O)N

InChI

InChI=1S/C8H11NO4S/c1-5(8(9)12)14-7(11)4-3-6(10)13-2/h1,3-4H2,2H3,(H2,9,12)