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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H16N2O5S/c1-22-14(20)8-12-7-13(19)18-16(17-12)24-9-10-3-5-11(6-4-10)15(21)23-2/h3-7H,8-9H2,1-2H3,(H,17,18,19)