(2,5-dimethylphenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: (2,5-dimethylphenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: (2,5-dimethylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)acetic acid (2,5-dimethylphenyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C17H15NO3S/c1-11-7-8-12(2)14(9-11)21-16(19)10-18-13-5-3-4-6-15(13)22-17(18)20/h3-9H,10H2,1-2H3