4-butylsulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-butylsulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butylsulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(butylthio)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butylsulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(butylthio)-1H-pyrrole-2-carboxylic acid Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CNC(=C1)C(=O)O

Isomeric SMILES

CCCCSC1=CNC(=C1)C(=O)O

InChI

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