4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]thio]methyl]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-13-11-17(22-26-13)21-19(23)18(15-5-3-2-4-6-15)27-12-14-7-9-16(10-8-14)20(24)25/h2-11,18H,12H2,1H3,(H,24,25)(H,21,22,23)