cyclopentyl (4R,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl (4R,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4R,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4R,7R)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-4-(4-methyl-3-nitro-phenyl)-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)C[C@H](CC3=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O5S/c1-15-9-10-17(13-21(15)29(32)33)25-24(27(31)34-19-6-3-4-7-19)16(2)28-20-12-18(14-22(30)26(20)25)23-8-5-11-35-23/h5,8-11,13,18-19,25-26H,3-4,6-7,12,14H2,1-2H3/t18-,25-,26?/m1/s1