2-[[4-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-1-methyl-2-(o-phenetidino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H24N2O5S/c1-3-32-22-11-7-6-10-21(22)27-23(28)16(2)33-18-14-12-17(13-15-18)26-24(29)19-8-4-5-9-20(19)25(30)31/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)