2-[2-[5-methoxy-4-oxidanylidene-2-(phenylsulfanylmethyl)pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[5-methoxy-4-oxidanylidene-2-(phenylsulfanylmethyl)pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-methoxy-4-oxo-2-[(phenylthio)methyl]-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)pyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[(phenylthio)methyl]-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=CC=CC=C2)OC

InChI

InChI=1S/C20H24N2O5S/c1-13(2)19(20(25)26)21-18(24)11-22-10-17(27-3)16(23)9-14(22)12-28-15-7-5-4-6-8-15/h4-10,13,19H,11-12H2,1-3H3,(H,21,24)(H,25,26)