ethyl 3,5-dimethyl-4-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]oxyacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[4-[4-(methylthio)phenyl]-1,4-dioxobutoxy]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]oxyacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[4-keto-4-[4-(methylthio)phenyl]butanoyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C22H25NO6S/c1-5-28-22(27)21-13(2)20(14(3)23-21)18(25)12-29-19(26)11-10-17(24)15-6-8-16(30-4)9-7-15/h6-9,23H,5,10-12H2,1-4H3