methyl 6-ethanoyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-ethanoyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O6S2/c1-14(26)24-12-9-17-18(13-24)32-21(19(17)22(28)31-2)23-20(27)15-5-7-16(8-6-15)33(29,30)25-10-3-4-11-25/h5-8H,3-4,9-13H2,1-2H3,(H,23,27)