[5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl] ethanedithioate

Systemtic Name: [5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]oxolan-3-yl] ethanedithioate Openeye Name: [5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl] ethanedithioate CAS Name: ethanedithioic acid [5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxolanyl] ester IUPAC Name: [5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl] ethanedithioate Traditional Name: ethanedithioic acid [5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-3-yl] ester Formula: C38H35N3O5S2 MolecularWeight: 677.8316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)SC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6

Isomeric SMILES

CC(=S)SC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C38H35N3O5S2/c1-26(47)48-33-24-35(41-23-22-34(40-37(41)43)39-36(42)27-12-6-3-7-13-27)46-32(33)25-45-38(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(44-2)21-19-30/h3-23,32-33,35H,24-25H2,1-2H3,(H,39,40,42,43)