4-[[2-(2-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[2-(2-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-(2-hydroxy-1-methyl-1-methylsulfanyl-2-oxo-ethyl)phenyl]carbamoyl]benzoic acid CAS Name: 4-[[2-[1-hydroxy-2-(methylthio)-1-oxopropan-2-yl]anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[2-(1-hydroxy-2-methylsulfanyl-1-oxopropan-2-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[2-[2-hydroxy-2-keto-1-methyl-1-(methylthio)ethyl]phenyl]carbamoyl]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)O)(C(=O)O)SC

Isomeric SMILES

CC(C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)O)(C(=O)O)SC

InChI

InChI=1S/C18H17NO5S/c1-18(25-2,17(23)24)13-5-3-4-6-14(13)19-15(20)11-7-9-12(10-8-11)16(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)(H,23,24)