methyl 3-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-[[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-[[2-(methylamino)-2-oxo-ethyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[[2-(methylamino)-2-oxoethyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 4-keto-3-[[[2-keto-2-(methylamino)ethyl]thio]methyl]-4-(3-pyridyl)butyric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

Isomeric SMILES

CNC(=O)CSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C14H18N2O4S/c1-15-12(17)9-21-8-11(6-13(18)20-2)14(19)10-4-3-5-16-7-10/h3-5,7,11H,6,8-9H2,1-2H3,(H,15,17)