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

Systemtic Name: ethyl 2-[2-(4-butoxyphenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-butoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-butoxyphenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-butoxybenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OCC

InChI

InChI=1S/C22H23FN2O4S/c1-3-5-13-29-16-11-9-15(10-12-16)21(27)24-22-25(14-19(26)28-4-2)20-17(23)7-6-8-18(20)30-22/h6-12H,3-5,13-14H2,1-2H3