1-[4-(ethoxysulfanylcarbonylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate

Systemtic Name: 1-[4-(ethoxysulfanylcarbonylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate Openeye Name: 1-[4-(ethoxysulfanylcarbonylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate CAS Name: benzoic acid methyl ester; [[6-methoxy-2-[[oxo-(sulfonylamino)methyl]amino]-4-pyrimidinyl]methylthio]-oxomethanesulfenic acid ethyl ester IUPAC Name: 1-[4-(ethoxysulfanylcarbonylsulfanylmethyl)-6-methoxypyrimidin-2-yl]-3-sulfonylurea; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-[4-[[(ethoxythio)carbonylthio]methyl]-6-methoxy-pyrimidin-2-yl]-3-sulfonyl-urea Formula: C18H20N4O8S3 MolecularWeight: 516.5684

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOSC(=O)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12N4O6S3.C8H8O2/c1-3-20-22-10(16)21-5-6-4-7(19-2)12-8(11-6)13-9(15)14-23(17)18;1-10-8(9)7-5-3-2-4-6-7/h4H,3,5H2,1-2H3,(H,11,12,13,15);2-6H,1H3