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

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

CCCCC1=CSC2=C1C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CSC2=C1C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-4-5-7-14-11-27-19-18(14)17(16(12(2)21-19)20(23)26-3)13-8-6-9-15(10-13)22(24)25/h6,8-11,17,21H,4-5,7H2,1-3H3