methyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

Isomeric SMILES

CC(=O)NCCSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C15H20N2O4S/c1-11(18)17-6-7-22-10-13(8-14(19)21-2)15(20)12-4-3-5-16-9-12/h3-5,9,13H,6-8,10H2,1-2H3,(H,17,18)