ethyl 7-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 7-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-oxidanylidene-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 7-[(1-methylsulfonyl-4-piperidyl)methyl]-6-oxo-3-phenyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 7-[(1-methylsulfonyl-4-piperidinyl)methyl]-6-oxo-3-phenyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-7-[(1-mesyl-4-piperidyl)methyl]-3-phenyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)CC3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N(C(=O)C=C2)CC3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O5S2/c1-3-30-23(27)21-20(17-7-5-4-6-8-17)18-9-10-19(26)25(22(18)31-21)15-16-11-13-24(14-12-16)32(2,28)29/h4-10,16H,3,11-15H2,1-2H3