methyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C21H25NO3S/c1-12-17(20(24)25-4)18(13-6-8-14(26-5)9-7-13)19-15(22-12)10-21(2,3)11-16(19)23/h6-9,17-18H,10-11H2,1-5H3/t17?,18-/m0/s1