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

Systemtic Name: ethyl 6-ethanoyl-2-[(3-methylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-acetyl-2-[(3-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-2-[(3-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[(3-mesylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S2/c1-4-28-20(25)17-15-8-9-22(12(2)23)11-16(15)29-19(17)21-18(24)13-6-5-7-14(10-13)30(3,26)27/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,24)