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

Systemtic Name: dimethyl 3-methyl-5-[2-(3-phenylsulfanylpropanoyloxy)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H21NO7S2 MolecularWeight: 451.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21NO7S2/c1-12-16(19(24)26-2)18(30-17(12)20(25)27-3)21-14(22)11-28-15(23)9-10-29-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,21,22)