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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(2-pyrimidinylthio)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-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(2-pyrimidylthio)propanoylamino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC=CC=N2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC=CC=N2)C(=O)OC)C

InChI

InChI=1S/C17H19N3O5S2/c1-5-25-16(23)12-9(2)11(15(22)24-4)14(27-12)20-13(21)10(3)26-17-18-7-6-8-19-17/h6-8,10H,5H2,1-4H3,(H,20,21)