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

Systemtic Name: prop-2-enyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl 3-(4-chlorophenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CSC=C3)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CSC=C3)C(=O)OCC=C

InChI

InChI=1S/C19H17ClN2O2S2/c1-3-9-24-18(23)16-12(2)22(15-6-4-14(20)5-7-15)19(25)21-17(16)13-8-10-26-11-13/h3-8,10-11,17H,1,9H2,2H3,(H,21,25)