[2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21NO3S/c1-2-7-17-12-14-18(15-13-17)22(27)16-29-25(28)20-9-4-3-8-19(20)24-26-21-10-5-6-11-23(21)30-24/h3-6,8-15H,2,7,16H2,1H3