4-cyano-5-ethyl-1-methyl-3-[4-(2-methylsulfanylphenyl)phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-5-ethyl-1-methyl-3-[4-(2-methylsulfanylphenyl)phenyl]pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethyl-1-methyl-3-[4-(2-methylsulfanylphenyl)phenyl]pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-ethyl-1-methyl-3-[4-[2-(methylthio)phenyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethyl-1-methyl-3-[4-(2-methylsulfanylphenyl)phenyl]pyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-ethyl-1-methyl-3-[4-[2-(methylthio)phenyl]phenyl]pyrrole-2-carboxylic acid Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3SC)C#N

Isomeric SMILES

CCC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3SC)C#N

InChI

InChI=1S/C22H20N2O2S/c1-4-18-17(13-23)20(21(22(25)26)24(18)2)15-11-9-14(10-12-15)16-7-5-6-8-19(16)27-3/h5-12H,4H2,1-3H3,(H,25,26)