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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(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-(3-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(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)CCSC2=NC=CC=N2)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-4-25-16(23)13-10(2)12(15(22)24-3)14(27-13)20-11(21)6-9-26-17-18-7-5-8-19-17/h5,7-8H,4,6,9H2,1-3H3,(H,20,21)