2-methoxyethyl 6-[4-(dodecanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-[4-(dodecanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[4-(dodecanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxododecylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[4-(dodecanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-(lauroylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C29H45N3O4S MolecularWeight: 531.7503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

InChI

InChI=1S/C29H45N3O4S/c1-5-7-8-9-10-11-12-13-14-15-25(33)30-24-18-16-23(17-19-24)27-26(28(34)36-21-20-35-4)22(3)32(6-2)29(37)31-27/h16-19,27H,5-15,20-21H2,1-4H3,(H,30,33)(H,31,37)