2-ethoxyethyl (4S,7R)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4S,7R)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S,7R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S,7R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-o-phenetyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC)C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OCC)C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

InChI=1S/C27H31NO5S/c1-4-31-12-13-33-27(30)24-17(3)28-20-15-18(23-11-8-14-34-23)16-21(29)26(20)25(24)19-9-6-7-10-22(19)32-5-2/h6-11,14,18,25,28H,4-5,12-13,15-16H2,1-3H3/t18-,25-/m1/s1