ethyl 7,7-dimethyl-5-oxidanylidene-4-(5-phenylthiophen-2-yl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 7,7-dimethyl-5-oxidanylidene-4-(5-phenylthiophen-2-yl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 7,7-dimethyl-5-oxo-4-(5-phenyl-2-thienyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 7,7-dimethyl-5-oxo-4-(5-phenyl-2-thiophenyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7,7-dimethyl-5-oxo-4-(5-phenylthiophen-2-yl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-4-(5-phenyl-2-thienyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H31NO3S/c1-5-10-18-24(26(30)31-6-2)25(23-19(28-18)15-27(3,4)16-20(23)29)22-14-13-21(32-22)17-11-8-7-9-12-17/h7-9,11-14,25,28H,5-6,10,15-16H2,1-4H3