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

Systemtic Name: ethyl 3-cyano-2-[(3-ethylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-cyano-2-[(3-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[(3-ethylsulfonylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-[(3-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[(3-esylbenzoyl)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)C3=CC(=CC=C3)S(=O)(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-3-28-20(25)23-9-8-15-16(11-21)19(29-17(15)12-23)22-18(24)13-6-5-7-14(10-13)30(26,27)4-2/h5-7,10H,3-4,8-9,12H2,1-2H3,(H,22,24)