cyclohexyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclohexyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H29NO3S/c1-14-19(22(26)27-16-7-5-4-6-8-16)20(15-9-10-28-13-15)21-17(24-14)11-23(2,3)12-18(21)25/h9-10,13,16,20,24H,4-8,11-12H2,1-3H3