O3-ethyl O6-methyl 2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[3-(phenylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S2/c1-3-28-20(25)18-15-9-11-23(21(26)27-2)13-16(15)30-19(18)22-17(24)10-12-29-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,22,24)