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

Systemtic Name: ethyl 3-cyano-2-[2-(phenylmethyl)sulfonylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-2-28-20(25)23-9-8-15-16(10-21)19(29-17(15)11-23)22-18(24)13-30(26,27)12-14-6-4-3-5-7-14/h3-7H,2,8-9,11-13H2,1H3,(H,22,24)