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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C30H24N2O3S MolecularWeight: 492.58816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C30H24N2O3S/c1-19-16-20(2)18-22(17-19)31-28(33)27(21-10-4-3-5-11-21)35-30(34)24-13-7-6-12-23(24)29-32-25-14-8-9-15-26(25)36-29/h3-18,27H,1-2H3,(H,31,33)