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

Systemtic Name: dimethyl 2-[2-[2-(5-methylfuran-2-yl)carbonyl-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(5-methylfuran-2-carbonyl)-5-methylsulfanyl-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(5-methyl-2-furanyl)-oxomethyl]-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(5-methylfuran-2-carbonyl)-5-methylsulfanylpyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(5-methyl-2-furoyl)-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C18H21NO6S/c1-11-5-7-14(25-11)16(20)13-6-8-15(26-4)19(13)10-9-12(17(21)23-2)18(22)24-3/h5-8,12H,9-10H2,1-4H3