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

Systemtic Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]propionic acid Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S2/c1-19-10-4-2-9(3-5-10)8-14-12-15-16-13(21-12)20-7-6-11(17)18/h2-5H,6-8H2,1H3,(H,14,15)(H,17,18)