[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrole-3-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O6S/c1-12-9-17(14(3)23(12)18-10-13(2)29-22-18)20(25)28-11-19(24)21-15-5-7-16(8-6-15)30(4,26)27/h5-10H,11H2,1-4H3,(H,21,24)