methyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-acetamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H13N3O3S2/c1-8(17)14-12-15-16-13(21-12)20-7-9-3-5-10(6-4-9)11(18)19-2/h3-6H,7H2,1-2H3,(H,14,15,17)