[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O3S/c1-15-12-13-16(2)21(14-15)26-23(28)17(3)30-25(29)19-9-5-4-8-18(19)24-27-20-10-6-7-11-22(20)31-24/h4-14,17H,1-3H3,(H,26,28)