ethyl 2-[6-bromanyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H22BrN3O5S2 MolecularWeight: 588.49328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22BrN3O5S2/c1-3-34-23(30)15-29-21-13-10-17(26)14-22(21)35-25(29)27-24(31)19-6-4-5-7-20(19)28-36(32,33)18-11-8-16(2)9-12-18/h4-14,28H,3,15H2,1-2H3