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

Systemtic Name: O6-ethyl O3-methyl 2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: O6-ethyl O3-methyl 2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester IUPAC Name: 6-O-ethyl 3-O-methyl 2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-3-29-22(27)24-12-11-16-17(14-24)31-20(19(16)21(26)28-2)23-18(25)10-7-13-30-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,23,25)