5-tert-butyl-2-methyl-1-(2-methylsulfanylethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-methyl-1-(2-methylsulfanylethyl)pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-2-methyl-1-(2-methylsulfanylethyl)pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-2-methyl-1-[2-(methylthio)ethyl]-3-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-2-methyl-1-(2-methylsulfanylethyl)pyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-2-methyl-1-[2-(methylthio)ethyl]pyrrole-3-carboxylic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSC)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCSC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C13H21NO2S/c1-9-10(12(15)16)8-11(13(2,3)4)14(9)6-7-17-5/h8H,6-7H2,1-5H3,(H,15,16)