ethyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-4-(5-ethyl-2-thienyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(5-ethyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(5-ethyl-2-thienyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C

Isomeric SMILES

CCC1=CC=C(S1)[C@@H]2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C21H27NO3S/c1-6-13-8-9-16(26-13)19-17(20(24)25-7-2)12(3)22-14-10-21(4,5)11-15(23)18(14)19/h8-9,18-19H,6-7,10-11H2,1-5H3/t18?,19-/m0/s1