5-ethylsulfanyl-1-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-ethylsulfanyl-1-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-ethylsulfanyl-1-methyl-pyrrole-3-carboxylic acid CAS Name: 5-(ethylthio)-1-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-ethylsulfanyl-1-methylpyrrole-3-carboxylic acid Traditional Name: 5-(ethylthio)-1-methyl-pyrrole-3-carboxylic acid Formula: C8H11NO2S MolecularWeight: 185.24344

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CN1C)C(=O)O

Isomeric SMILES

CCSC1=CC(=CN1C)C(=O)O

InChI

InChI=1S/C8H11NO2S/c1-3-12-7-4-6(8(10)11)5-9(7)2/h4-5H,3H2,1-2H3,(H,10,11)