[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21NO3S/c27-22(20-15-13-19(14-16-20)18-7-2-1-3-8-18)17-29-25(28)12-6-11-24-26-21-9-4-5-10-23(21)30-24/h1-5,7-10,13-16H,6,11-12,17H2