2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-fluoranyl-4-methyl-benzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-fluoranyl-4-methyl-benzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C17H14FNO5S MolecularWeight: 363.360163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO5S/c1-11-6-7-12(10-14(11)18)17(21)24-9-8-19-16(20)13-4-2-3-5-15(13)25(19,22)23/h2-7,10H,8-9H2,1H3