[4-acetyloxy-3-(4-methylphenyl)carbonyloxy-5-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [4-acetyloxy-3-(4-methylphenyl)carbonyloxy-5-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [4-acetoxy-3-(4-methylbenzoyl)oxy-5-(4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-acetyloxy-3-[(4-methylphenyl)-oxomethoxy]-5-(4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-3-(4-methylbenzoyl)oxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-acetoxy-5-(4-keto-2-thioxo-pyrimidin-1-yl)-3-p-toluoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H26N2O8S MolecularWeight: 538.56894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=S)OC(=O)C)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=S)OC(=O)C)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H26N2O8S/c1-15-4-8-18(9-5-15)25(32)34-14-20-22(37-26(33)19-10-6-16(2)7-11-19)23(35-17(3)30)24(36-20)29-13-12-21(31)28-27(29)38/h4-13,20,22-24H,14H2,1-3H3,(H,28,31,38)