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

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O5S/c1-15(23(28)26-16-12-17(30-2)14-18(13-16)31-3)32-25(29)20-9-5-4-8-19(20)24-27-21-10-6-7-11-22(21)33-24/h4-15H,1-3H3,(H,26,28)