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

Systemtic Name: 2-thiophen-3-ylethyl 4-(chloromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 4-(chloromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(chloromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 4-(chloromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(chloromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-thienyl)ethyl ester Formula: C13H15ClN2O2S2 MolecularWeight: 330.8534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2S2/c1-8-11(10(6-14)16-13(19)15-8)12(17)18-4-2-9-3-5-20-7-9/h3,5,7,10H,2,4,6H2,1H3,(H2,15,16,19)