6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)SC=C2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C2=C(N1)SC=C2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H16N2O4S/c1-12-17(21(24)25)18(14-8-5-9-15(10-14)23(26)27)19-16(11-28-20(19)22-12)13-6-3-2-4-7-13/h2-11,18,22H,1H3,(H,24,25)