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

Systemtic Name: methyl 3-butyl-6-methyl-4-(2-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 3-butyl-6-methyl-4-(2-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-butyl-6-methyl-4-(2-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-methyl-4-(2-nitrophenyl)-2-propyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-butyl-6-methyl-4-(2-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/c1-5-7-11-16-18(10-6-2)30-22-21(16)20(19(14(3)24-22)23(26)29-4)15-12-8-9-13-17(15)25(27)28/h8-9,12-13,20,24H,5-7,10-11H2,1-4H3