methyl 5-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(1-carbamoylvinylsulfanyl)-5-oxo-pentanoate CAS Name: 5-[(3-amino-3-oxoprop-1-en-2-yl)thio]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(3-amino-3-oxoprop-1-en-2-yl)sulfanyl-5-oxopentanoate Traditional Name: 5-(1-carbamoylvinylthio)-5-keto-valeric acid methyl ester Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO4S/c1-6(9(10)13)15-8(12)5-3-4-7(11)14-2/h1,3-5H2,2H3,(H2,10,13)