2-[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-11(25-16-6-4-3-5-15(16)18(23)24)17(22)20-14-9-7-13(8-10-14)19-12(2)21/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t11-/m0/s1