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

Systemtic Name: ethyl 2-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H22N4O7S2 MolecularWeight: 554.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])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)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N4O7S2/c1-3-36-23(30)15-28-21-13-10-17(29(32)33)14-22(21)37-25(28)26-24(31)19-6-4-5-7-20(19)27-38(34,35)18-11-8-16(2)9-12-18/h4-14,27H,3,15H2,1-2H3