3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10(17)16-5-6-21-9-12(7-13(18)19)14(20)11-3-2-4-15-8-11/h2-4,8,12H,5-7,9H2,1H3,(H,16,17)(H,18,19)