ethyl 5-[2-(2-ethylsulfinylphenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-ethylsulfinylphenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-ethylsulfinylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2-ethylsulfinylphenyl)-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-ethylsulfinylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-ethylsulfinylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)CC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)CC)C

InChI

InChI=1S/C21H25NO6S/c1-6-27-21(25)17-12(3)18(22-13(17)4)19(23)14(5)28-20(24)15-10-8-9-11-16(15)29(26)7-2/h8-11,14,22H,6-7H2,1-5H3