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

Systemtic Name: ethyl 6-ethanoyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-acetyl-2-[(2-benzylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-2-[(2-benzylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[[2-(benzylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)C)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S2/c1-3-27-21(26)19-16-9-10-23(14(2)24)11-17(16)29-20(19)22-18(25)13-28-12-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,22,25)