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

Systemtic Name: 5-butylsulfanyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-butylsulfanyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-(butylthio)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-butylsulfanyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(butylthio)-1H-pyrrole-3-carboxylic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CN1)C(=O)O

Isomeric SMILES

CCCCSC1=CC(=CN1)C(=O)O

InChI

InChI=1S/C9H13NO2S/c1-2-3-4-13-8-5-7(6-10-8)9(11)12/h5-6,10H,2-4H2,1H3,(H,11,12)