2-[6-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-phenylsulfanyl-pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-6-methyl-2-oxo-4-phenylsulfanyl-1-pyridyl]acetic acid CAS Name: 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-4-(phenylthio)-1-pyridinyl]acetic acid IUPAC Name: 2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-4-phenylsulfanylpyridin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-6-methyl-4-(phenylthio)-1-pyridyl]acetic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(=O)O)NC(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(=O)O)NC(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5S/c1-15-12-18(30-17-10-6-3-7-11-17)20(21(27)24(15)13-19(25)26)23-22(28)29-14-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,23,28)(H,25,26)