methyl 3-[[(2-methyl-1,3-thiazol-4-yl)carbonylamino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[[(2-methyl-1,3-thiazol-4-yl)carbonylamino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Openeye Name: methyl 3-[[(2-methylthiazole-4-carbonyl)amino]methyl]-5-(8-quinolylsulfonylamino)benzoate CAS Name: 3-[[[(2-methyl-4-thiazolyl)-oxomethyl]amino]methyl]-5-(8-quinolinylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-methyl-1,3-thiazole-4-carbonyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Traditional Name: 3-[[(2-methylthiazole-4-carbonyl)amino]methyl]-5-(8-quinolylsulfonylamino)benzoic acid methyl ester Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H20N4O5S2/c1-14-26-19(13-33-14)22(28)25-12-15-9-17(23(29)32-2)11-18(10-15)27-34(30,31)20-7-3-5-16-6-4-8-24-21(16)20/h3-11,13,27H,12H2,1-2H3,(H,25,28)