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

Systemtic Name: methyl 2-[6-acetamido-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H24N4O6S2 MolecularWeight: 552.62196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC(=O)OC

InChI

InChI=1S/C26H24N4O6S2/c1-16-8-11-19(12-9-16)38(34,35)29-21-7-5-4-6-20(21)25(33)28-26-30(15-24(32)36-3)22-13-10-18(27-17(2)31)14-23(22)37-26/h4-14,29H,15H2,1-3H3,(H,27,31)