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

Systemtic Name: methyl 4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[2-(1,3,4-thiadiazol-2-ylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=CS2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=CS2

InChI

InChI=1S/C14H15N3O3S2/c1-9(22-14-17-16-8-21-14)12(18)15-7-10-3-5-11(6-4-10)13(19)20-2/h3-6,8-9H,7H2,1-2H3,(H,15,18)