2-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H22N2O4S/c28-23(27-15-5-7-17-6-1-4-10-22(17)27)16-32-19-13-11-18(12-14-19)26-24(29)20-8-2-3-9-21(20)25(30)31/h1-4,6,8-14H,5,7,15-16H2,(H,26,29)(H,30,31)