2-acetamido-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide

Systemtic Name: 2-acetamido-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Openeye Name: 2-acetamido-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide CAS Name: 2-acetamido-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide IUPAC Name: 2-acetamido-5-methylsulfanyl-1H-pyrrole-3,4-dicarboxamide Traditional Name: 2-acetamido-5-(methylthio)-1H-pyrrole-3,4-dicarboxamide Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C(=C(N1)SC)C(=O)N)C(=O)N

InChI

InChI=1S/C9H12N4O3S/c1-3(14)12-8-4(6(10)15)5(7(11)16)9(13-8)17-2/h13H,1-2H3,(H2,10,15)(H2,11,16)(H,12,14)