3-azanyl-4-cyano-1-methyl-5-methylsulfanyl-pyrrole-2-carboxylic acid

Systemtic Name: 3-azanyl-4-cyano-1-methyl-5-methylsulfanyl-pyrrole-2-carboxylic acid Openeye Name: 3-amino-4-cyano-1-methyl-5-methylsulfanyl-pyrrole-2-carboxylic acid CAS Name: 3-amino-4-cyano-1-methyl-5-(methylthio)-2-pyrrolecarboxylic acid IUPAC Name: 3-amino-4-cyano-1-methyl-5-methylsulfanylpyrrole-2-carboxylic acid Traditional Name: 3-amino-4-cyano-1-methyl-5-(methylthio)pyrrole-2-carboxylic acid Formula: C8H9N3O2S MolecularWeight: 211.24096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C1SC)C#N)N)C(=O)O

Isomeric SMILES

CN1C(=C(C(=C1SC)C#N)N)C(=O)O

InChI

InChI=1S/C8H9N3O2S/c1-11-6(8(12)13)5(10)4(3-9)7(11)14-2/h10H2,1-2H3,(H,12,13)