4-(1,3-benzothiazol-5-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-(1,3-benzothiazol-5-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-(1,3-benzothiazol-5-ylamino)-4-oxo-but-2-enoic acid CAS Name: 4-(1,3-benzothiazol-5-ylamino)-4-oxo-2-butenoic acid IUPAC Name: 4-(1,3-benzothiazol-5-ylamino)-4-oxobut-2-enoic acid Traditional Name: 4-(1,3-benzothiazol-5-ylamino)-4-keto-but-2-enoic acid Formula: C11H8N2O3S MolecularWeight: 248.25782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C=CC(=O)O)N=CS2

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C=CC(=O)O)N=CS2

InChI

InChI=1S/C11H8N2O3S/c14-10(3-4-11(15)16)13-7-1-2-9-8(5-7)12-6-17-9/h1-6H,(H,13,14)(H,15,16)