[5-(4-oxidanylidene-5-prop-2-enyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-oxidanylidene-5-prop-2-enyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(5-allyl-4-oxo-2-thioxo-pyrimidin-1-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(4-oxo-5-prop-2-enyl-2-sulfanylidene-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(4-oxo-5-prop-2-enyl-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(5-allyl-4-keto-2-thioxo-pyrimidin-1-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C33H28N2O8S MolecularWeight: 612.64902

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CN(C(=S)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C=CCC1=CN(C(=S)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H28N2O8S/c1-2-12-24-19-35(33(44)34-28(24)36)29-27(43-32(39)23-17-10-5-11-18-23)26(42-31(38)22-15-8-4-9-16-22)25(41-29)20-40-30(37)21-13-6-3-7-14-21/h2-11,13-19,25-27,29H,1,12,20H2,(H,34,36,44)