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

Systemtic Name: 2-methyl-5-(4-methylsulfanylphenyl)-1-propan-2-yl-pyrrole-3-carboxylic acid Openeye Name: 1-isopropyl-2-methyl-5-(4-methylsulfanylphenyl)pyrrole-3-carboxylic acid CAS Name: 2-methyl-5-[4-(methylthio)phenyl]-1-propan-2-yl-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-5-(4-methylsulfanylphenyl)-1-propan-2-ylpyrrole-3-carboxylic acid Traditional Name: 1-isopropyl-2-methyl-5-[4-(methylthio)phenyl]pyrrole-3-carboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C(C)C)C2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C(C)C)C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C16H19NO2S/c1-10(2)17-11(3)14(16(18)19)9-15(17)12-5-7-13(20-4)8-6-12/h5-10H,1-4H3,(H,18,19)