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

Systemtic Name: methyl 3-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)OC

InChI

InChI=1S/C14H17N3O2S2/c1-3-10-4-6-11(7-5-10)15-13-16-17-14(21-13)20-9-8-12(18)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,16)