methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl 2-(2-methoxy-2-oxo-ethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethyl-pyrrole-3-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethylpyrrole-3-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-1-(2-methylsulfonyloxyethyl)-4-phenethyl-pyrrole-3-carboxylic acid methyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CN1CCOS(=O)(=O)C)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C(=CN1CCOS(=O)(=O)C)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H25NO7S/c1-26-18(22)13-17-19(20(23)27-2)16(10-9-15-7-5-4-6-8-15)14-21(17)11-12-28-29(3,24)25/h4-8,14H,9-13H2,1-3H3