phenyl 2-[5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethanoate

Systemtic Name: phenyl 2-[5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethanoate Openeye Name: phenyl 2-[5-(4-acetamido-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetate CAS Name: 2-[5-(4-acetamido-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-acetamido-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetate Traditional Name: 2-[5-(4-acetamido-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]acetic acid phenyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(O2)CC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)C2CSC(O2)CC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O5S/c1-11(21)18-13-7-8-20(17(23)19-13)14-10-26-16(25-14)9-15(22)24-12-5-3-2-4-6-12/h2-8,14,16H,9-10H2,1H3,(H,18,19,21,23)