(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butanoic acid

Systemtic Name: (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butanoic acid Openeye Name: (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)butanoic acid CAS Name: (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxo-1-cyclohexa-2,5-dienylidene)butanoic acid IUPAC Name: (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)butanoic acid Traditional Name: (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ketocyclohexa-2,5-dien-1-ylidene)butyric acid Formula: C17H13NO3S MolecularWeight: 311.35502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(CC(=O)O)C=C3C=CC(=O)C=C3)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/CC(=O)O)\C=C3C=CC(=O)C=C3)/S2

InChI

InChI=1S/C17H13NO3S/c19-13-7-5-11(6-8-13)9-12(10-16(20)21)17-18-14-3-1-2-4-15(14)22-17/h1-9,18H,10H2,(H,20,21)/b17-12-