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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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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)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H24N2O3S/c1-17-12-13-18(2)21(16-17)28-26(30)25(19-8-4-3-5-9-19)31-24(29)15-14-23-27-20-10-6-7-11-22(20)32-23/h3-13,16,25H,14-15H2,1-2H3,(H,28,30)