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

Systemtic Name: 2-[[4-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H19NO5S MolecularWeight: 421.46566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H19NO5S/c1-29-21-9-5-4-8-19(21)20(25)14-30-16-12-10-15(11-13-16)24-22(26)17-6-2-3-7-18(17)23(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28)