methyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-4,6-bis(fluoranyl)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]carbonylimino-4,6-bis(fluoranyl)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[bis(2-cyanoethyl)sulfamoyl]phenyl]-oxomethyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H19F2N5O5S2 MolecularWeight: 547.554266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)F)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)F)F

InChI

InChI=1S/C23H19F2N5O5S2/c1-35-20(31)14-30-21-18(25)12-16(24)13-19(21)36-23(30)28-22(32)15-4-6-17(7-5-15)37(33,34)29(10-2-8-26)11-3-9-27/h4-7,12-13H,2-3,10-11,14H2,1H3