[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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