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

Systemtic Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H26FN3O5S2 MolecularWeight: 519.608743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)F

InChI

InChI=1S/C24H26FN3O5S2/c1-2-33-21(29)16-28-22-19(25)8-7-9-20(22)34-24(28)26-23(30)17-10-12-18(13-11-17)35(31,32)27-14-5-3-4-6-15-27/h7-13H,2-6,14-16H2,1H3