5-methoxycarbonyl-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-isobutyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 5-methoxycarbonyl-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 5-methoxycarbonyl-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 5-carbomethoxy-3-isobutyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-2-carboxylic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)SC(=C2CC(C)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)SC(=C2CC(C)C)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-10(2)8-14-17-16(12-6-5-7-13(9-12)23(27)28)15(21(26)29-4)11(3)22-19(17)30-18(14)20(24)25/h5-7,9-10,16,22H,8H2,1-4H3,(H,24,25)