ethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-furylmethylsulfanyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-furfurylthio)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCSCC2=CC=CO2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCSCC2=CC=CO2)C

InChI

InChI=1S/C17H22N2O4S/c1-4-22-17(21)14-11(2)15(19-12(14)3)16(20)18-7-9-24-10-13-6-5-8-23-13/h5-6,8,19H,4,7,9-10H2,1-3H3,(H,18,20)