methyl 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxo-butanoate CAS Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoate Traditional Name: 4-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-4-keto-2,2-dimethyl-butyric acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S/c1-26(2,24(30)31-3)16-22(29)19-10-8-17(9-11-19)18-12-14-20(15-13-18)27-25-28-21-6-4-5-7-23(21)32-25/h4-15H,16H2,1-3H3,(H,27,28)