O2-ethyl O4-methyl 3-methyl-5-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C17H19N3O7S2 MolecularWeight: 441.47866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7S2/c1-4-27-16(25)13-8(2)12(15(24)26-3)14(29-13)18-9(21)5-6-28-17-19-10(22)7-11(23)20-17/h7H,4-6H2,1-3H3,(H,18,21)(H2,19,20,22,23)