6-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C25H26N2O4S/c28-23(27-14-6-8-17-7-1-4-13-22(17)27)16-32-19-10-5-9-18(15-19)26-24(29)20-11-2-3-12-21(20)25(30)31/h1-5,7,9-10,13,15,20-21H,6,8,11-12,14,16H2,(H,26,29)(H,30,31)