methyl 2-[[4-(ethanoylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-(ethanoylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-(acetylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-[(acetylthio)methyl]-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(acetylsulfanylmethyl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-[(acetylthio)methyl]-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C17H18N4O7S2 MolecularWeight: 454.47742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC

Isomeric SMILES

CC(=O)SCC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC

InChI

InChI=1S/C17H18N4O7S2/c1-10(22)29-9-11-8-14(27-2)19-16(18-11)20-17(24)21-30(25,26)13-7-5-4-6-12(13)15(23)28-3/h4-8H,9H2,1-3H3,(H2,18,19,20,21,24)