3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5E)-4-keto-5-piperonylidene-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H12N2O5S/c21-16-15(7-10-4-5-13-14(6-10)25-9-24-13)26-18(20-16)19-12-3-1-2-11(8-12)17(22)23/h1-8H,9H2,(H,22,23)(H,19,20,21)/b15-7+