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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C19H21NO5S2/c1-5-25-19(23)15-11(2)14(18(22)24-4)17(27-15)20-16(21)12(3)26-13-9-7-6-8-10-13/h6-10,12H,5H2,1-4H3,(H,20,21)