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

Systemtic Name: cyclohexyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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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)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H29NO3S/c1-14-19(22(26)27-15-8-5-4-6-9-15)21(18-10-7-11-28-18)20-16(24-14)12-23(2,3)13-17(20)25/h7,10-12,15,20-21,24H,4-6,8-9,13H2,1-3H3