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

Systemtic Name: propan-2-yl 3-butyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-5-6-8-16-12-29-21-20(16)19(15-9-7-10-17(11-15)24(26)27)18(14(4)23-21)22(25)28-13(2)3/h7,9-13,19,23H,5-6,8H2,1-4H3