methyl 2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SC(C)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SC(C)C(=O)OC)C

InChI

InChI=1S/C15H19N3O2S2/c1-5-11-8-6-7-9(2)12(11)16-14-17-18-15(22-14)21-10(3)13(19)20-4/h6-8,10H,5H2,1-4H3,(H,16,17)