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

Systemtic Name: (phenylmethyl) 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C30H28N2O7S MolecularWeight: 560.61752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C30H28N2O7S/c1-3-38-24-15-20(13-22(29(24)34)32(36)37)27-26(30(35)39-16-18-8-5-4-6-9-18)17(2)31-21-12-19(14-23(33)28(21)27)25-10-7-11-40-25/h4-11,13,15,19,27,31,34H,3,12,14,16H2,1-2H3