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

Systemtic Name: ethyl 3-cyano-2-[2-(4-methylphenyl)sulfonylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[[2-(p-tolylsulfonyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(2-tosylacetyl)amino]-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)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-3-28-20(25)23-9-8-15-16(10-21)19(29-17(15)11-23)22-18(24)12-30(26,27)14-6-4-13(2)5-7-14/h4-7H,3,8-9,11-12H2,1-2H3,(H,22,24)