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

Systemtic Name: 2-methylpropyl (4R,7R)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isobutyl (4R,7R)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R,7R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isobutyl ester Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=NC(=C2C(=O)OCC(C)C)C)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H]2C3C(=NC(=C2C(=O)OCC(C)C)C)C[C@H](CC3=O)C4=CC=CS4

InChI

InChI=1S/C27H30N2O7S/c1-5-35-21-12-17(10-19(26(21)31)29(33)34)24-23(27(32)36-13-14(2)3)15(4)28-18-9-16(11-20(30)25(18)24)22-7-6-8-37-22/h6-8,10,12,14,16,24-25,31H,5,9,11,13H2,1-4H3/t16-,24-,25?/m1/s1