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

Systemtic Name: methyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(S1)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NN=C(S1)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S2/c1-19-12(18)8-10-20-14-17-16-13(21-14)15-9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)