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

Systemtic Name: ethyl 5-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxyacetyl]-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)COC(=O)CCC(=O)C2=C(SC(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCC(=O)C2=C(SC(=C2)C)C)C

InChI

InChI=1S/C21H25NO6S/c1-6-27-21(26)19-12(3)20(22-13(19)4)17(24)10-28-18(25)8-7-16(23)15-9-11(2)29-14(15)5/h9,22H,6-8,10H2,1-5H3