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

Systemtic Name: methyl 2-[6-ethoxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H25N3O6S2 MolecularWeight: 539.6232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C)S2)CC(=O)OC

InChI

InChI=1S/C26H25N3O6S2/c1-4-35-18-11-14-22-23(15-18)36-26(29(22)16-24(30)34-3)27-25(31)20-7-5-6-8-21(20)28-37(32,33)19-12-9-17(2)10-13-19/h5-15,28H,4,16H2,1-3H3