ethyl 3,5-dimethyl-4-[(2S)-4-(4-methylphenyl)sulfonyloxybutan-2-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(2S)-4-(4-methylphenyl)sulfonyloxybutan-2-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(1S)-1-methyl-3-(p-tolylsulfonyloxy)propyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(2S)-4-(4-methylphenyl)sulfonyloxybutan-2-yl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(2S)-4-(4-methylphenyl)sulfonyloxybutan-2-yl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(1S)-1-methyl-3-tosyloxy-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(C)CCOS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)[C@@H](C)CCOS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H27NO5S/c1-6-25-20(22)19-15(4)18(16(5)21-19)14(3)11-12-26-27(23,24)17-9-7-13(2)8-10-17/h7-10,14,21H,6,11-12H2,1-5H3/t14-/m0/s1