2-azanyl-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]propionic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC=CC(=C2)CC(C(=O)O)N

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC=CC(=C2)CC(C(=O)O)N

InChI

InChI=1S/C13H15N3O2S2/c1-8-15-16-13(20-8)19-7-10-4-2-3-9(5-10)6-11(14)12(17)18/h2-5,11H,6-7,14H2,1H3,(H,17,18)