(4-ethanoylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (4-ethanoylphenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (4-acetylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (4-acetylphenyl) ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C18H15NO4S/c1-12(20)13-6-8-14(9-7-13)23-17(21)10-11-19-15-4-2-3-5-16(15)24-18(19)22/h2-9H,10-11H2,1H3