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

Systemtic Name: methyl 6-ethanoyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-(4-benzylsulfonylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-(4-benzylsulfonylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-(4-benzylsulfonylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S2/c1-15(25)24-11-10-17-18(13-24)31-21(20(17)22(27)30-2)23-19(26)9-6-12-32(28,29)14-16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3,(H,23,26)