methyl 4-(4-cyanophenyl)-1-ethylsulfonyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-1-ethylsulfonyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-1-ethylsulfonyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-1-ethylsulfonyl-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-1-ethylsulfonyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-esyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=C(C(=C1C)C(=O)OC)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCS(=O)(=O)N1C(=C(C(=C1C)C(=O)OC)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C17H18N2O4S/c1-5-24(21,22)19-11(2)15(16(12(19)3)17(20)23-4)14-8-6-13(10-18)7-9-14/h6-9H,5H2,1-4H3