2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]benzoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-24-14-8-9-16-13(11-14)5-4-10-20(16)18(21)12-25-17-7-3-2-6-15(17)19(22)23/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,22,23)