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

Systemtic Name: 2-thiophen-3-ylethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thienyl)ethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CSC=C2

InChI

InChI=1S/C13H16N2O3S2/c1-8-11(10(6-16)15-13(19)14-8)12(17)18-4-2-9-3-5-20-7-9/h3,5,7,10,16H,2,4,6H2,1H3,(H2,14,15,19)