dimethyl 2-[2-[2-(4-bromanylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(4-bromanylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(4-bromofuran-2-carbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-bromo-2-furanyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(4-bromofuran-2-carbonyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-bromo-2-furoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO6S/c1-23-16(21)11(17(22)24-2)6-7-19-12(4-5-14(19)26-3)15(20)13-8-10(18)9-25-13/h4-5,8-9,11H,6-7H2,1-3H3