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

Systemtic Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-14-19(22(26)28-11-10-27-4)20(15-6-8-16(29-5)9-7-15)21-17(24-14)12-23(2,3)13-18(21)25/h6-9,19-20H,10-13H2,1-5H3/t19?,20-/m1/s1