2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,5-dimethylbenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,5-dimethylbenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C

InChI

InChI=1S/C18H17NO5S/c1-12-9-13(2)11-14(10-12)18(21)24-8-7-19-17(20)15-5-3-4-6-16(15)25(19,22)23/h3-6,9-11H,7-8H2,1-2H3