ethyl 3-aminocarbonyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-aminocarbonyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O6S2/c1-2-30-21(27)24-10-8-15-16(12-24)31-20(18(15)19(22)26)23-17(25)9-11-32(28,29)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,22,26)(H,23,25)