prop-2-enyl 3-(3,4-dimethylphenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 3-(3,4-dimethylphenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl 3-(3,4-dimethylphenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-4-methyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(3,4-dimethylphenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CSC=C3)C(=O)OCC=C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CSC=C3)C(=O)OCC=C)C)C

InChI

InChI=1S/C21H22N2O2S2/c1-5-9-25-20(24)18-15(4)23(17-7-6-13(2)14(3)11-17)21(26)22-19(18)16-8-10-27-12-16/h5-8,10-12,19H,1,9H2,2-4H3,(H,22,26)