methyl 2-[[4-(4-methylphenyl)-1,2,3-thiadiazol-5-yl]sulfonyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)-1,2,3-thiadiazol-5-yl]sulfonyl]ethanoate Openeye Name: methyl 2-[4-(p-tolyl)thiadiazol-5-yl]sulfonylacetate CAS Name: 2-[[4-(4-methylphenyl)-5-thiadiazolyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)thiadiazol-5-yl]sulfonylacetate Traditional Name: 2-[4-(p-tolyl)thiadiazol-5-yl]sulfonylacetic acid methyl ester Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SN=N2)S(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SN=N2)S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C12H12N2O4S2/c1-8-3-5-9(6-4-8)11-12(19-14-13-11)20(16,17)7-10(15)18-2/h3-6H,7H2,1-2H3