ethyl 5-azanyl-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenyl-thieno[3,2-b]pyridine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenyl-thieno[3,2-b]pyridine-6-carboxylate Openeye Name: ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenyl-thieno[3,2-b]pyridine-6-carboxylate CAS Name: 5-amino-3-(1H-benzimidazol-2-yl)-2-(phenacylthio)-7-phenyl-6-thieno[3,2-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(1H-benzimidazol-2-yl)-2-phenacylsulfanyl-7-phenylthieno[3,2-b]pyridine-6-carboxylate Traditional Name: 5-amino-3-(1H-benzimidazol-2-yl)-2-(phenacylthio)-7-phenyl-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester Formula: C31H24N4O3S2 MolecularWeight: 564.67726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=C(S2)SCC(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4)N=C1N)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=C(S2)SCC(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4)N=C1N)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O3S2/c1-2-38-30(37)24-23(19-13-7-4-8-14-19)27-26(35-28(24)32)25(29-33-20-15-9-10-16-21(20)34-29)31(40-27)39-17-22(36)18-11-5-3-6-12-18/h3-16H,2,17H2,1H3,(H2,32,35)(H,33,34)