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

Systemtic Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(p-anisylamino)-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:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCC(=O)OC

InChI

InChI=1S/C14H17N3O3S2/c1-19-11-5-3-10(4-6-11)9-15-13-16-17-14(22-13)21-8-7-12(18)20-2/h3-6H,7-9H2,1-2H3,(H,15,16)