methyl 4-[2-[1-(2-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-hydroxy-4-keto-1-(2-methoxyphenyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C21H19N3O6S/c1-29-16-6-4-3-5-15(16)24-19(27)11-17(25)23-21(24)31-12-18(26)22-14-9-7-13(8-10-14)20(28)30-2/h3-11,27H,12H2,1-2H3,(H,22,26)