2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-naphthalen-2-ylethanoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 2-naphthalen-2-ylethanoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-(2-naphthyl)acetate CAS Name: 2-(2-naphthalenyl)acetic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-naphthalen-2-ylacetate Traditional Name: 2-(2-naphthyl)acetic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H17NO5S/c23-20(14-15-9-10-16-5-1-2-6-17(16)13-15)27-12-11-22-21(24)18-7-3-4-8-19(18)28(22,25)26/h1-10,13H,11-12,14H2