3-thiophen-3-ylprop-2-ynyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-3-ylprop-2-ynyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(3-thienyl)prop-2-ynyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thiophenyl)prop-2-ynyl ester IUPAC Name: 3-thiophen-3-ylprop-2-ynyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thienyl)prop-2-ynyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC#CC2=CSC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC#CC2=CSC=C2

InChI

InChI=1S/C13H12N2O2S2/c1-9-11(7-14-13(18)15-9)12(16)17-5-2-3-10-4-6-19-8-10/h4,6,8H,5,7H2,1H3,(H2,14,15,18)