methyl 8-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-8-oxidanylidene-octanoate Openeye Name: methyl 8-(1-carbamoylvinylsulfanyl)-8-oxo-octanoate CAS Name: 8-[(3-amino-3-oxoprop-1-en-2-yl)thio]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-(3-amino-3-oxoprop-1-en-2-yl)sulfanyl-8-oxooctanoate Traditional Name: 8-(1-carbamoylvinylthio)-8-keto-caprylic acid methyl ester Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4S/c1-9(12(13)16)18-11(15)8-6-4-3-5-7-10(14)17-2/h1,3-8H2,2H3,(H2,13,16)