2-thiophen-3-ylethyl 6-(hydroxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-thiophen-3-ylethyl 6-(hydroxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 6-(hydroxymethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(hydroxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 6-(hydroxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thienyl)ethyl ester Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(NC(=S)N1)CO)C(=O)OCCC2=CSC=C2

Isomeric SMILES

C1C(=C(NC(=S)N1)CO)C(=O)OCCC2=CSC=C2

InChI

InChI=1S/C12H14N2O3S2/c15-6-10-9(5-13-12(18)14-10)11(16)17-3-1-8-2-4-19-7-8/h2,4,7,15H,1,3,5-6H2,(H2,13,14,18)