5-(4-ethylsulfanylphenyl)-2-methyl-1-propan-2-yl-pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-ethylsulfanylphenyl)-2-methyl-1-propan-2-yl-pyrrole-3-carboxylic acid Openeye Name: 5-(4-ethylsulfanylphenyl)-1-isopropyl-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[4-(ethylthio)phenyl]-2-methyl-1-propan-2-yl-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-ethylsulfanylphenyl)-2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid Traditional Name: 5-[4-(ethylthio)phenyl]-1-isopropyl-2-methyl-pyrrole-3-carboxylic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=CC(=C(N2C(C)C)C)C(=O)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=CC(=C(N2C(C)C)C)C(=O)O

InChI

InChI=1S/C17H21NO2S/c1-5-21-14-8-6-13(7-9-14)16-10-15(17(19)20)12(4)18(16)11(2)3/h6-11H,5H2,1-4H3,(H,19,20)