(3-methanoylphenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: (3-methanoylphenyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: (3-formylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid (3-formylphenyl) ester IUPAC Name: (3-formylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)acetic acid (3-formylphenyl) ester Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC=CC(=C3)C=O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)OC3=CC=CC(=C3)C=O

InChI

InChI=1S/C16H11NO4S/c18-10-11-4-3-5-12(8-11)21-15(19)9-17-13-6-1-2-7-14(13)22-16(17)20/h1-8,10H,9H2