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

Systemtic Name: methyl 6-methyl-3-(2-methylpropyl)-4-(2-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 3-isobutyl-6-methyl-4-(2-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 6-methyl-3-(2-methylpropyl)-4-(2-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-3-(2-methylpropyl)-4-(2-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-isobutyl-6-methyl-4-(2-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-11(2)9-13-10-27-19-17(13)18(16(12(3)21-19)20(23)26-4)14-7-5-6-8-15(14)22(24)25/h5-8,10-11,18,21H,9H2,1-4H3