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

Systemtic Name: (2-ethanoylphenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (2-acetylphenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (2-acetylphenyl) ester IUPAC Name: (2-acetylphenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-acetylphenyl) ester Formula: C19H17NO3S2 MolecularWeight: 371.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO3S2/c1-13(21)14-7-2-4-9-16(14)23-18(22)11-6-12-24-19-20-15-8-3-5-10-17(15)25-19/h2-5,7-10H,6,11-12H2,1H3