2-ethoxyethyl (4R,4aS)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4R,4aS)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4R,4aS)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aS)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4R,4aS)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aS)-5-keto-2,7,7-trimethyl-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC=CS3)(C)C)C

Isomeric SMILES

CCOCCOC(=O)C1=C(N=C2CC(CC(=O)[C@H]2[C@H]1C3=CC=CS3)(C)C)C

InChI

InChI=1S/C21H27NO4S/c1-5-25-8-9-26-20(24)17-13(2)22-14-11-21(3,4)12-15(23)18(14)19(17)16-7-6-10-27-16/h6-7,10,18-19H,5,8-9,11-12H2,1-4H3/t18-,19-/m0/s1