4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-4-keto-2,2-dimethyl-butyric acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C25H22N2O3S/c1-25(2,23(29)30)15-21(28)18-9-7-16(8-10-18)17-11-13-19(14-12-17)26-24-27-20-5-3-4-6-22(20)31-24/h3-14H,15H2,1-2H3,(H,26,27)(H,29,30)