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

Systemtic Name: 3-butyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-3-4-6-13-10-26-18-17(13)16(15(19(22)23)11(2)20-18)12-7-5-8-14(9-12)21(24)25/h5,7-10,16,20H,3-4,6H2,1-2H3,(H,22,23)/p-1