ethyl (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: ethyl (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: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N2O7S/c1-4-33-19-12-15(10-17(24(19)29)27(31)32)22-21(25(30)34-5-2)13(3)26-16-9-14(11-18(28)23(16)22)20-7-6-8-35-20/h6-8,10,12,14,22-23,29H,4-5,9,11H2,1-3H3/t14-,22-,23?/m1/s1