1-[(2-ethylsulfanylphenyl)methyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[(2-ethylsulfanylphenyl)methyl]pyrrole-2-carboxylic acid Openeye Name: 1-[(2-ethylsulfanylphenyl)methyl]pyrrole-2-carboxylic acid CAS Name: 1-[[2-(ethylthio)phenyl]methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[(2-ethylsulfanylphenyl)methyl]pyrrole-2-carboxylic acid Traditional Name: 1-[2-(ethylthio)benzyl]pyrrole-2-carboxylic acid Formula: C14H15NO2S MolecularWeight: 261.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1CN2C=CC=C2C(=O)O

Isomeric SMILES

CCSC1=CC=CC=C1CN2C=CC=C2C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-2-18-13-8-4-3-6-11(13)10-15-9-5-7-12(15)14(16)17/h3-9H,2,10H2,1H3,(H,16,17)