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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

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