[(2S,5R)-5-[2-oxidanylidene-5-(phenylmethyl)-4-sulfanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,5R)-5-[2-oxidanylidene-5-(phenylmethyl)-4-sulfanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl benzoate Openeye Name: [(2S,5R)-5-(5-benzyl-2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,5R)-5-[2-oxo-5-(phenylmethyl)-4-sulfanylidene-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5R)-5-(5-benzyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,5R)-5-(5-benzyl-2-keto-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=C(C(=S)NC3=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](O[C@@H]1COC(=O)C2=CC=CC=C2)N3C=C(C(=S)NC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c26-22(17-9-5-2-6-10-17)28-15-19-11-12-20(29-19)25-14-18(21(30)24-23(25)27)13-16-7-3-1-4-8-16/h1-10,14,19-20H,11-13,15H2,(H,24,27,30)/t19-,20+/m0/s1