cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[4-(methylthio)phenyl]-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C27H29NO3S2 MolecularWeight: 479.65406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)SC)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)SC)C(=O)OC5CCCC5

InChI

InChI=1S/C27H29NO3S2/c1-16-24(27(30)31-19-6-3-4-7-19)25(17-9-11-20(32-2)12-10-17)26-21(28-16)14-18(15-22(26)29)23-8-5-13-33-23/h5,8-13,18-19,25,28H,3-4,6-7,14-15H2,1-2H3