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

Systemtic Name: cyclohexyl (4R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)SC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CC=C(C=C4)SC)C(=O)CCC2

InChI

InChI=1S/C24H29NO3S/c1-15-21(24(27)28-17-7-4-3-5-8-17)22(16-11-13-18(29-2)14-12-16)23-19(25-15)9-6-10-20(23)26/h11-14,17,21-22H,3-10H2,1-2H3/t21?,22-/m0/s1