2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[6-(2-methoxy-2-oxo-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-keto-6-(2-keto-2-methoxy-ethyl)-1H-pyrimidin-2-yl]thio]ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5S/c1-22-14(20)10-12-9-13(19)18-16(17-12)24-8-7-23-15(21)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,18,19)