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

Systemtic Name: dimethyl 2-[2-(2-methylsulfanyl-5-thiophen-2-ylcarbonyl-pyrrol-1-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-methylsulfanyl-5-(thiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-(methylthio)-5-[oxo(thiophen-2-yl)methyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-methylsulfanyl-5-(thiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(methylthio)-5-(2-thenoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1SC)C(=O)C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C17H19NO5S2/c1-22-16(20)11(17(21)23-2)8-9-18-12(6-7-14(18)24-3)15(19)13-5-4-10-25-13/h4-7,10-11H,8-9H2,1-3H3