ethyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-fluoro-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-fluoro-2-(4-indolin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H22FN3O5S2 MolecularWeight: 539.598383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H22FN3O5S2/c1-2-35-24(31)16-29-22-12-9-19(27)15-23(22)36-26(29)28-25(32)18-7-10-20(11-8-18)37(33,34)30-14-13-17-5-3-4-6-21(17)30/h3-12,15H,2,13-14,16H2,1H3