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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[3-(2-pyridylsulfanyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(2-pyridinylthio)propyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-(3-pyridin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(2-pyridylthio)propanoylamino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=N2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=N2)C(=O)OC)C

InChI

InChI=1S/C18H20N2O5S2/c1-4-25-18(23)15-11(2)14(17(22)24-3)16(27-15)20-12(21)8-10-26-13-7-5-6-9-19-13/h5-7,9H,4,8,10H2,1-3H3,(H,20,21)