methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[4-oxo-4-(2-thienyl)butanoyl]oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[4-keto-4-(2-thienyl)butanoyl]oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C24H23NO6S/c1-15-13-19(16(2)25(15)18-8-6-17(7-9-18)24(29)30-3)21(27)14-31-23(28)11-10-20(26)22-5-4-12-32-22/h4-9,12-13H,10-11,14H2,1-3H3