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

Systemtic Name: 2-methylpropyl 2-methylidene-4-(3-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isobutyl 2-methylene-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-4-(3-nitrophenyl)-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methylidene-4-(3-nitrophenyl)-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(3-nitrophenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isobutyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O5S/c1-14(2)13-32-25(29)22-15(3)26-19-11-17(21-8-5-9-33-21)12-20(28)24(19)23(22)16-6-4-7-18(10-16)27(30)31/h4-10,14,17,22-23,26H,3,11-13H2,1-2H3