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

Systemtic Name: methyl 3-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCCC(=O)OC

InChI

InChI=1S/C14H17N3O3S2/c1-9-4-5-11(19-2)10(8-9)15-13-16-17-14(22-13)21-7-6-12(18)20-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)