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

Systemtic Name: methyl 3-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCCC(=O)OC

InChI

InChI=1S/C13H15N3O2S2/c1-9-5-3-4-6-10(9)14-12-15-16-13(20-12)19-8-7-11(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,15)