5-methyl-1-propanoyl-4-sulfanyl-2H-pyrrole-5-carboxylic acid

Systemtic Name: 5-methyl-1-propanoyl-4-sulfanyl-2H-pyrrole-5-carboxylic acid Openeye Name: 5-methyl-1-propanoyl-4-sulfanyl-2H-pyrrole-5-carboxylic acid CAS Name: 4-mercapto-5-methyl-1-(1-oxopropyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: 5-methyl-1-propanoyl-4-sulfanyl-2H-pyrrole-5-carboxylic acid Traditional Name: 3-mercapto-2-methyl-1-propionyl-3-pyrroline-2-carboxylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC=C(C1(C)C(=O)O)S

Isomeric SMILES

CCC(=O)N1CC=C(C1(C)C(=O)O)S

InChI

InChI=1S/C9H13NO3S/c1-3-7(11)10-5-4-6(14)9(10,2)8(12)13/h4,14H,3,5H2,1-2H3,(H,12,13)