diethyl 3-methyl-5-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[1-oxo-3-(phenylthio)propoxy]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(3-phenylsulfanylpropanoyloxy)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[3-(phenylthio)propanoyloxy]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25NO7S2 MolecularWeight: 479.5664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C22H25NO7S2/c1-4-28-21(26)18-14(3)19(22(27)29-5-2)32-20(18)23-16(24)13-30-17(25)11-12-31-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3,(H,23,24)