methyl 3-[[5-(phenylmethyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-(phenylmethyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoate Openeye Name: methyl 3-(5-benzylthiadiazol-4-yl)sulfanylpropanoate CAS Name: 3-[[5-(phenylmethyl)-4-thiadiazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-benzylthiadiazol-4-yl)sulfanylpropanoate Traditional Name: 3-[(5-benzylthiadiazol-4-yl)thio]propionic acid methyl ester Formula: C13H14N2O2S2 MolecularWeight: 294.39246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(SN=N1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=C(SN=N1)CC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S2/c1-17-12(16)7-8-18-13-11(19-15-14-13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3