2-methylpropyl (4R,7R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4R,7R)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl (4R,7R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,7R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C26H28N2O7S/c1-13(2)12-35-26(31)22-14(3)27-17-8-15(21-6-5-7-36-21)10-19(29)24(17)23(22)16-9-18(28(32)33)25(30)20(11-16)34-4/h5-7,9,11,13,15,23,27,30H,8,10,12H2,1-4H3/t15-,23+/m1/s1