2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C17H11N3O5S/c21-14(10-3-1-2-4-11(10)16(22)23)18-17-20-19-15(26-17)9-5-6-12-13(7-9)25-8-24-12/h1-7H,8H2,(H,22,23)(H,18,20,21)