4-(phenylmethylsulfanyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(phenylmethylsulfanyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-benzylsulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(phenylmethylthio)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-benzylsulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(benzylthio)-1H-pyrrole-2-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CNC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CNC(=C2)C(=O)O

InChI

InChI=1S/C12H11NO2S/c14-12(15)11-6-10(7-13-11)16-8-9-4-2-1-3-5-9/h1-7,13H,8H2,(H,14,15)