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

Systemtic Name: 2-[2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[2-[[(4-fluorophenyl)thio]methyl]-5-methoxy-4-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxopyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-[[(4-fluorophenyl)thio]methyl]-4-keto-5-methoxy-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C20H23FN2O5S MolecularWeight: 422.470423

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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=C(C=C2)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5S/c1-12(2)19(20(26)27)22-18(25)10-23-9-17(28-3)16(24)8-14(23)11-29-15-6-4-13(21)5-7-15/h4-9,12,19H,10-11H2,1-3H3,(H,22,25)(H,26,27)