ethyl 6-(3-ethoxy-3-oxidanylidene-propyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-ethoxy-3-oxidanylidene-propyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-ethoxy-3-oxo-propyl)-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-3-oxopropyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-ethoxy-3-oxopropyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-3-keto-propyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=NC(=S)N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC1=C(C=NC(=S)N1)C(=O)OCC

InChI

InChI=1S/C12H16N2O4S/c1-3-17-10(15)6-5-9-8(11(16)18-4-2)7-13-12(19)14-9/h7H,3-6H2,1-2H3,(H,13,14,19)