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

Systemtic Name: 4-[4-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethyl)-4-oxo-butanoic acid CAS Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethyl)-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-2-(2-methoxyethyl)-4-oxobutanoic acid Traditional Name: 4-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-4-keto-2-(2-methoxyethyl)butyric acid Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(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

COCCC(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/C26H23ClN2O4S/c1-33-13-12-19(25(31)32)14-23(30)18-4-2-16(3-5-18)17-6-9-21(10-7-17)28-26-29-22-11-8-20(27)15-24(22)34-26/h2-11,15,19H,12-14H2,1H3,(H,28,29)(H,31,32)