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

Systemtic Name: (4-ethanoylphenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (4-acetylphenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-acetylphenyl) ester Formula: C17H13NO3S2 MolecularWeight: 343.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO3S2/c1-11(19)12-6-8-13(9-7-12)21-16(20)10-22-17-18-14-4-2-3-5-15(14)23-17/h2-9H,10H2,1H3