2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]ethanoate

Systemtic Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]ethanoate Openeye Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]acetate CAS Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]acetate IUPAC Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]acetate Traditional Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-6-yl]acetate Formula: C16H12NO3S- MolecularWeight: 298.33638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C16H13NO3S/c1-20-12-4-2-3-11(9-12)16-17-13-6-5-10(8-15(18)19)7-14(13)21-16/h2-7,9H,8H2,1H3,(H,18,19)/p-1