cyclopentyl 4-(5-bromanylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 4-(5-bromanylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 4-(5-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(5-bromo-2-thiophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(5-bromo-2-thienyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C22H26BrNO3S MolecularWeight: 464.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)Br)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)Br)C(=O)OC4CCCC4

InChI

InChI=1S/C22H26BrNO3S/c1-12-18(21(26)27-13-6-4-5-7-13)20(16-8-9-17(23)28-16)19-14(24-12)10-22(2,3)11-15(19)25/h8-9,13,20,24H,4-7,10-11H2,1-3H3