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

Systemtic Name: methyl 3-butyl-6-methyl-4-(3-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 3-butyl-6-methyl-4-(3-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-butyl-6-methyl-4-(3-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-methyl-4-(3-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-butyl-6-methyl-4-(3-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCC1=C(SC2=C1C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])CCC

InChI

InChI=1S/C23H28N2O4S/c1-5-7-12-17-18(9-6-2)30-22-21(17)20(19(14(3)24-22)23(26)29-4)15-10-8-11-16(13-15)25(27)28/h8,10-11,13,20,24H,5-7,9,12H2,1-4H3