3-[3-[[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-4-methylsulfanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-[[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-4-methylsulfanyl-phenyl]propanoic acid Openeye Name: 3-[3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridyl]carbamoylamino]-4-methylsulfanyl-phenyl]propanoic acid CAS Name: 3-[3-[[[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-4-(methylthio)phenyl]propanoic acid IUPAC Name: 3-[3-[[1-[(2-chlorophenyl)methyl]-2-hydroxy-5-methyl-4-oxopyridin-3-yl]carbamoylamino]-4-methylsulfanylphenyl]propanoic acid Traditional Name: 3-[3-[[1-(2-chlorobenzyl)-2-hydroxy-4-keto-5-methyl-3-pyridyl]carbamoylamino]-4-(methylthio)phenyl]propionic acid Formula: C24H24ClN3O5S MolecularWeight: 501.98246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CCC(=O)O)SC)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CN(C(=C(C1=O)NC(=O)NC2=C(C=CC(=C2)CCC(=O)O)SC)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C24H24ClN3O5S/c1-14-12-28(13-16-5-3-4-6-17(16)25)23(32)21(22(14)31)27-24(33)26-18-11-15(8-10-20(29)30)7-9-19(18)34-2/h3-7,9,11-12,32H,8,10,13H2,1-2H3,(H,29,30)(H2,26,27,33)