methyl 2-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-[(4,5-dihydrothiazol-2-ylthio)methyl]-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-methoxy-6-[(2-thiazolin-2-ylthio)methyl]pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C18H19N5O6S3 MolecularWeight: 497.56836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=NC(=NC(=C1)CSC2=NCCS2)NC(=O)NS(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H19N5O6S3/c1-28-14-9-11(10-31-18-19-7-8-30-18)20-16(21-14)22-17(25)23-32(26,27)13-6-4-3-5-12(13)15(24)29-2/h3-6,9H,7-8,10H2,1-2H3,(H2,20,21,22,23,25)