(4-ethanoylphenyl) 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (4-ethanoylphenyl) 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4-acetylphenyl) 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4-acetylphenyl) ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S/c1-13(21)14-9-11-15(12-10-14)23-19(22)8-4-7-18-20-16-5-2-3-6-17(16)24-18/h2-3,5-6,9-12H,4,7-8H2,1H3