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

Systemtic Name: 2-methylpropyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,7R)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-acetoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)C[C@@H](C2)C4=CC=CS4

InChI

InChI=1S/C27H29NO5S/c1-15(2)14-32-27(31)24-16(3)28-21-12-19(23-6-5-11-34-23)13-22(30)26(21)25(24)18-7-9-20(10-8-18)33-17(4)29/h5-11,15,19,24-25H,12-14H2,1-4H3/t19-,24?,25-/m1/s1