5-pentylsulfanyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-pentylsulfanyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-pentylsulfanyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-(pentylthio)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-pentylsulfanyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(amylthio)-1H-pyrrole-3-carboxylic acid Formula: C10H15NO2S MolecularWeight: 213.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=CN1)C(=O)O

Isomeric SMILES

CCCCCSC1=CC(=CN1)C(=O)O

InChI

InChI=1S/C10H15NO2S/c1-2-3-4-5-14-9-6-8(7-11-9)10(12)13/h6-7,11H,2-5H2,1H3,(H,12,13)