cyclopentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC=CS4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCC3)C4=CC=CS4)C(=O)CC(C2)(C)C

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/h6,9-10,14,18,20H,4-5,7-8,11-12H2,1-3H3/t18?,20-/m0/s1