cyclopentyl (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: cyclopentyl (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: cyclopentyl (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 cyclopentyl ester IUPAC Name: cyclopentyl (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 cyclopentyl ester Formula: C27H28N2O7S MolecularWeight: 524.58542

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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)OC5CCCC5

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)OC5CCCC5

InChI

InChI=1S/C27H28N2O7S/c1-14-23(27(32)36-17-6-3-4-7-17)24(16-11-19(29(33)34)26(31)21(13-16)35-2)25-18(28-14)10-15(12-20(25)30)22-8-5-9-37-22/h5,8-9,11,13,15,17,24,28,31H,3-4,6-7,10,12H2,1-2H3/t15-,24+/m1/s1