1-[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxy-pyridin-2-yl]-3-sulfonyl-urea; methyl benzoate

Systemtic Name: 1-[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxy-pyridin-2-yl]-3-sulfonyl-urea; methyl benzoate Openeye Name: 1-[6-(4,5-dihydrothiazol-2-ylsulfanylmethyl)-4-methoxy-2-pyridyl]-3-sulfonyl-urea; methyl benzoate CAS Name: benzoic acid methyl ester; 1-[6-[(4,5-dihydrothiazol-2-ylthio)methyl]-4-methoxy-2-pyridinyl]-3-sulfonylurea IUPAC Name: 1-[6-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-methoxypyridin-2-yl]-3-sulfonylurea; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-[4-methoxy-6-[(2-thiazolin-2-ylthio)methyl]-2-pyridyl]-3-sulfonyl-urea Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=C1)NC(=O)N=S(=O)=O)CSC2=NCCS2.COC(=O)C1=CC=CC=C1

Isomeric SMILES

COC1=CC(=NC(=C1)NC(=O)N=S(=O)=O)CSC2=NCCS2.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H12N4O4S3.C8H8O2/c1-19-8-4-7(6-21-11-12-2-3-20-11)13-9(5-8)14-10(16)15-22(17)18;1-10-8(9)7-5-3-2-4-6-7/h4-5H,2-3,6H2,1H3,(H,13,14,16);2-6H,1H3