4-[4-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethoxy)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethoxy)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethoxy)-4-oxo-butanoic acid CAS Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethoxy)-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethoxy)-4-oxobutanoic acid Traditional Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-4-keto-2-(2-methoxyethoxy)butyric acid Formula: C26H23ClN2O5S MolecularWeight: 510.98922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(S3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COCCOC(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(S3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H23ClN2O5S/c1-33-12-13-34-23(25(31)32)15-22(30)18-4-2-16(3-5-18)17-6-9-20(10-7-17)28-26-29-21-11-8-19(27)14-24(21)35-26/h2-11,14,23H,12-13,15H2,1H3,(H,28,29)(H,31,32)