2-propan-2-yloxyethyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-propan-2-yloxyethyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-isopropoxyethyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-propan-2-yloxyethyl ester IUPAC Name: 2-propan-2-yloxyethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-isopropoxyethyl ester Formula: C27H30N2O8S MolecularWeight: 542.6007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)OCCOC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-])C(=O)OCCOC(C)C

InChI

InChI=1S/C27H30N2O8S/c1-14(2)36-7-8-37-27(32)23-15(3)28-18-10-16(22-6-5-9-38-22)12-20(30)25(18)24(23)17-11-19(29(33)34)26(31)21(13-17)35-4/h5-6,9-11,13-14,16,24-25,28,31H,7-8,12H2,1-4H3