2-[[3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(2-keto-2-p-phenetyl-ethyl)thio]phenyl]carbamoyl]benzoic acid Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H21NO5S/c1-2-30-18-12-10-16(11-13-18)22(26)15-31-19-7-5-6-17(14-19)25-23(27)20-8-3-4-9-21(20)24(28)29/h3-14H,2,15H2,1H3,(H,25,27)(H,28,29)