[4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl benzoate

Systemtic Name: [4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl benzoate Openeye Name: [4-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl benzoate CAS Name: benzoic acid [4-(4-acetamido-2-oxo-1-pyrimidinyl)-1,3-dithiolan-2-yl]methyl ester IUPAC Name: [4-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-dithiolan-2-yl]methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(S2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(S2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O4S2/c1-11(21)18-13-7-8-20(17(23)19-13)14-10-25-15(26-14)9-24-16(22)12-5-3-2-4-6-12/h2-8,14-15H,9-10H2,1H3,(H,18,19,21,23)