ethyl 3-cyano-2-[4-(phenylmethyl)sulfonylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-cyano-2-[4-(phenylmethyl)sulfonylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S2/c1-2-30-22(27)25-11-10-17-18(13-23)21(31-19(17)14-25)24-20(26)9-6-12-32(28,29)15-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-12,14-15H2,1H3,(H,24,26)