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

Systemtic Name: cyclopentyl (4R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC=C(C=C4)SC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCC3)C4=CC=C(C=C4)SC)C(=O)CCC2

InChI

InChI=1S/C23H27NO3S/c1-14-20(23(26)27-16-6-3-4-7-16)21(15-10-12-17(28-2)13-11-15)22-18(24-14)8-5-9-19(22)25/h10-13,16,20-21H,3-9H2,1-2H3/t20?,21-/m0/s1