methyl 4-[2-[[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[6-(methoxymethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-6-(methoxymethyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O5S/c1-23-8-12-7-13(20)19-16(18-12)25-9-14(21)17-11-5-3-10(4-6-11)15(22)24-2/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)