2-methylpropyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isobutyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid isobutyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OCC(C)C)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCC(C)C)C)CC(CC3=O)(C)C

InChI

InChI=1S/C22H29NO3S/c1-12(2)11-26-21(25)18-14(4)23-15-9-22(5,6)10-16(24)19(15)20(18)17-8-7-13(3)27-17/h7-8,12,19-20H,9-11H2,1-6H3/t19?,20-/m1/s1