2-methylpropyl 4-(4-acetyloxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(4-acetyloxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isobutyl 4-(4-acetoxyphenyl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-acetyloxyphenyl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-5-keto-2-methylene-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isobutyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC=C(C=C4)OC(=O)C

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/h5-11,15,19,24-25,28H,3,12-14H2,1-2,4H3