3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-ylcarbamoyl)-1,3,4-thiadiazol-2-yl]propionic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN=C(S3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN=C(S3)CCC(=O)O

InChI

InChI=1S/C13H11N3O5S/c17-11(18)4-3-10-15-16-13(22-10)12(19)14-7-1-2-8-9(5-7)21-6-20-8/h1-2,5H,3-4,6H2,(H,14,19)(H,17,18)