dimethyl 2-[2-(2-chloranyl-5-thiophen-3-ylcarbonyl-pyrrol-1-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(2-chloranyl-5-thiophen-3-ylcarbonyl-pyrrol-1-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-5-(thiophene-3-carbonyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-5-[oxo(3-thiophenyl)methyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-5-(thiophene-3-carbonyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-chloro-5-(3-thenoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CSC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CSC=C2)C(=O)OC

InChI

InChI=1S/C16H16ClNO5S/c1-22-15(20)11(16(21)23-2)5-7-18-12(3-4-13(18)17)14(19)10-6-8-24-9-10/h3-4,6,8-9,11H,5,7H2,1-2H3