3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-(1,3-benzothiazol-2-ylthio)-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-(1,3-benzothiazol-2-ylthio)-1,3,4-thiadiazol-2-yl]propionic acid Formula: C12H9N3O2S3 MolecularWeight: 323.41376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(S3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NN=C(S3)CCC(=O)O

InChI

InChI=1S/C12H9N3O2S3/c16-10(17)6-5-9-14-15-12(19-9)20-11-13-7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H,16,17)