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

Systemtic Name: cyclopentyl (4R,4aS)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4R,4aS)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aS)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R,4aS)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aS)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-4,4a,6,8-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(=N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC4CCCC4

InChI

InChI=1S/C22H27NO3S/c1-13-18(21(25)26-15-6-4-5-7-15)19(14-8-9-27-12-14)20-16(23-13)10-22(2,3)11-17(20)24/h8-9,12,15,19-20H,4-7,10-11H2,1-3H3/t19-,20-/m0/s1