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

Systemtic Name: ethyl (4S)-4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(5-butyl-2-thienyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(5-butyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(5-butylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(5-butyl-2-thienyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCCC1=CC=C(S1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C23H31NO3S/c1-6-8-9-15-10-11-18(28-15)21-19(22(26)27-7-2)14(3)24-16-12-23(4,5)13-17(25)20(16)21/h10-11,20-21H,6-9,12-13H2,1-5H3/t20?,21-/m1/s1