dimethyl 2-[2-[2-(3-chloranylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(3-chloranylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(3-chlorofuran-2-carbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(3-chloro-2-furanyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(3-chlorofuran-2-carbonyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(3-chloro-2-furoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C17H18ClNO6S MolecularWeight: 399.84592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO6S/c1-23-16(21)10(17(22)24-2)6-8-19-12(4-5-13(19)26-3)14(20)15-11(18)7-9-25-15/h4-5,7,9-10H,6,8H2,1-3H3