methyl 9-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-9-oxidanylidene-nonanoate

Systemtic Name: methyl 9-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-9-oxidanylidene-nonanoate Openeye Name: methyl 9-(1-carbamoylvinylsulfanyl)-9-oxo-nonanoate CAS Name: 9-[(3-amino-3-oxoprop-1-en-2-yl)thio]-9-oxononanoic acid methyl ester IUPAC Name: methyl 9-(3-amino-3-oxoprop-1-en-2-yl)sulfanyl-9-oxononanoate Traditional Name: 9-(1-carbamoylvinylthio)-9-keto-pelargonic acid methyl ester Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4S/c1-10(13(14)17)19-12(16)9-7-5-3-4-6-8-11(15)18-2/h1,3-9H2,2H3,(H2,14,17)