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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

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