methyl 4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1,3,4-thiadiazol-2-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=CS2

InChI

InChI=1S/C13H13N3O3S2/c1-19-12(18)10-4-2-9(3-5-10)6-14-11(17)7-20-13-16-15-8-21-13/h2-5,8H,6-7H2,1H3,(H,14,17)