2-propan-2-yloxyethyl 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: 2-propan-2-yloxyethyl 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: 2-isopropoxyethyl 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 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl 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 2-isopropoxyethyl ester Formula: C28H32N2O8S MolecularWeight: 556.62728

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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)OCCOC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O8S/c1-5-36-22-14-18(12-20(27(22)32)30(34)35)25-24(28(33)38-9-8-37-15(2)3)16(4)29-19-11-17(13-21(31)26(19)25)23-7-6-10-39-23/h6-7,10,12,14-15,17,25,29,32H,5,8-9,11,13H2,1-4H3