O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-ethyl 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-[1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: 3-O-(1-benzylpiperidin-4-yl) 5-O-ethyl 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2-ethoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-ethyl ester Formula: C44H65N3O5S MolecularWeight: 748.069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCC)C2C(=C(NC(=S)N2C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C)C(=O)OCC

InChI

InChI=1S/C44H65N3O5S/c1-5-8-9-10-11-12-13-14-15-16-17-18-22-26-36-27-23-28-38(50-6-2)40(36)41-39(42(48)51-7-3)34(4)45-43(53)47(41)44(49)52-37-29-31-46(32-30-37)33-35-24-20-19-21-25-35/h19-21,23-25,27-28,37,41H,5-18,22,26,29-33H2,1-4H3,(H,45,53)