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

Systemtic Name: ethyl 3-aminocarbonyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S2/c1-2-31-22(28)25-11-10-16-17(13-25)32-21(19(16)20(23)27)24-18(26)9-6-12-33(29,30)14-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H2,23,27)(H,24,26)