cyclopentyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OC4CCCC4

InChI

InChI=1S/C22H27NO3S/c1-13-18(21(25)26-14-7-4-5-8-14)20(17-9-6-10-27-17)19-15(23-13)11-22(2,3)12-16(19)24/h6,9-11,14,19-20,23H,4-5,7-8,12H2,1-3H3