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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S2/c1-4-11-7-5-6-10(2)13(11)16-14-17-18-15(22-14)21-9-8-12(19)20-3/h5-7H,4,8-9H2,1-3H3,(H,16,17)