dimethyl 2-[2-[2-(furan-2-ylcarbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(furan-2-ylcarbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(furan-2-carbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[2-furanyl(oxo)methyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(furan-2-carbonyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(2-furoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=CO2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=CO2)C(=O)OC

InChI

InChI=1S/C17H19NO6S/c1-22-16(20)11(17(21)23-2)8-9-18-12(6-7-14(18)25-3)15(19)13-5-4-10-24-13/h4-7,10-11H,8-9H2,1-3H3