ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H50N2O3S MolecularWeight: 530.8053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2)C)C(=O)OCC

InChI

InChI=1S/C31H50N2O3S/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(35-6-2)28(25)29-27(30(34)36-7-3)24(4)32-31(37)33-29/h20,22-23,29H,5-19,21H2,1-4H3,(H2,32,33,37)