O4-ethyl O2-methyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(phenylthio)propyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-(3-phenylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(phenylthio)propanoylamino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c1-4-25-18(22)15-12(2)16(19(23)24-3)27-17(15)20-14(21)10-11-26-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,20,21)