ethyl 3-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-[3,4-bis(phenylcarbonyloxy)-5-(phenylcarbonyloxymethyl)oxolan-2-yl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-4-methyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)-2-oxolanyl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-4-methyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C40H36N2O9S MolecularWeight: 720.78684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C40H36N2O9S/c1-3-47-39(46)31-25(2)42(40(52)41-32(31)26-16-8-4-9-17-26)35-34(51-38(45)29-22-14-7-15-23-29)33(50-37(44)28-20-12-6-13-21-28)30(49-35)24-48-36(43)27-18-10-5-11-19-27/h4-23,30,32-35H,3,24H2,1-2H3,(H,41,52)