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

Systemtic Name: (4-ethanoylphenyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (4-acetylphenyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (4-acetylphenyl) ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO3S2/c1-12(20)13-6-8-14(9-7-13)22-17(21)10-11-23-18-19-15-4-2-3-5-16(15)24-18/h2-9H,10-11H2,1H3