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

Systemtic Name: ethyl 3-cyano-2-[(4-propan-2-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(4-isopropylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[oxo-(4-propan-2-ylsulfonylphenyl)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(4-propan-2-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(4-isopropylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-4-29-21(26)24-10-9-16-17(11-22)20(30-18(16)12-24)23-19(25)14-5-7-15(8-6-14)31(27,28)13(2)3/h5-8,13H,4,9-10,12H2,1-3H3,(H,23,25)