ethyl 2-methyl-5-(2-methylbutylsulfanyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(2-methylbutylsulfanyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-(2-methylbutylsulfanyl)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-(2-methylbutylthio)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(2-methylbutylsulfanyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-5-(2-methylbutylthio)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CSC1=CC(=C(N1)C)C(=O)OCC

Isomeric SMILES

CCC(C)CSC1=CC(=C(N1)C)C(=O)OCC

InChI

InChI=1S/C13H21NO2S/c1-5-9(3)8-17-12-7-11(10(4)14-12)13(15)16-6-2/h7,9,14H,5-6,8H2,1-4H3