[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C24H20N2O3S/c1-15-8-9-16(2)20(12-15)26-23(27)22(17-6-4-3-5-7-17)29-24(28)18-10-11-19-21(13-18)30-14-25-19/h3-14,22H,1-2H3,(H,26,27)