ethyl 2-[(3S)-5-fluoranyl-2-octyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-5-fluoranyl-2-octyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(3S)-5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetate CAS Name: 2-[(3S)-5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-5-fluoro-2-octyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-[(3S)-5-fluoro-1,1-diketo-2-octyl-3H-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H28FNO4S MolecularWeight: 385.493323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(C2=C(S1(=O)=O)C=CC(=C2)F)CC(=O)OCC

Isomeric SMILES

CCCCCCCCN1[C@H](C2=C(S1(=O)=O)C=CC(=C2)F)CC(=O)OCC

InChI

InChI=1S/C19H28FNO4S/c1-3-5-6-7-8-9-12-21-17(14-19(22)25-4-2)16-13-15(20)10-11-18(16)26(21,23)24/h10-11,13,17H,3-9,12,14H2,1-2H3/t17-/m0/s1