propyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H29NO3S/c1-6-11-27-22(26)19-14(2)24-17-12-23(3,4)13-18(25)21(17)20(19)15-7-9-16(28-5)10-8-15/h7-10,20,24H,6,11-13H2,1-5H3/t20-/m1/s1