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

Systemtic Name: 3-(cyclopentylmethyl)-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-(cyclopentylmethyl)-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-(cyclopentylmethyl)-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-(cyclopentylmethyl)-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-(cyclopentylmethyl)-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)SC=C2CC3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C2=C(N1)SC=C2CC3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H22N2O4S/c1-12-17(21(24)25)18(14-7-4-8-16(10-14)23(26)27)19-15(11-28-20(19)22-12)9-13-5-2-3-6-13/h4,7-8,10-11,13,18,22H,2-3,5-6,9H2,1H3,(H,24,25)/p-1