ethyl 2-[1,3-benzothiazol-5-yl-(4-fluoranylcyclohex-3-en-1-yl)carbonyl-amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl-(4-fluoranylcyclohex-3-en-1-yl)carbonyl-amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl-(4-fluorocyclohex-3-ene-1-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[(4-fluoro-1-cyclohex-3-enyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl-(4-fluorocyclohex-3-ene-1-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl-(4-fluorocyclohex-3-ene-1-carbonyl)amino]acetic acid ethyl ester Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCC(=CC3)F

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCC(=CC3)F

InChI

InChI=1S/C18H19FN2O3S/c1-2-24-17(22)10-21(18(23)12-3-5-13(19)6-4-12)14-7-8-16-15(9-14)20-11-25-16/h5,7-9,11-12H,2-4,6,10H2,1H3