ethyl 2-[2-(4-ethoxyphenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethoxyphenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ethoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

InChI

InChI=1S/C20H19FN2O4S/c1-3-26-14-10-8-13(9-11-14)19(25)22-20-23(12-17(24)27-4-2)18-15(21)6-5-7-16(18)28-20/h5-11H,3-4,12H2,1-2H3