4-(2-azanyl-3-sulfanyl-propanoyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-(2-azanyl-3-sulfanyl-propanoyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-(2-amino-3-sulfanyl-propanoyl)-5-hydroxy-1,2-benzoquinone CAS Name: 4-(2-amino-3-mercapto-1-oxopropyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-(2-amino-3-sulfanylpropanoyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione Traditional Name: 4-(2-amino-3-mercapto-propanoyl)-5-hydroxy-o-benzoquinone Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=O)C1=O)O)C(=O)C(CS)N

Isomeric SMILES

C1=C(C(=CC(=O)C1=O)O)C(=O)C(CS)N

InChI

InChI=1S/C9H9NO4S/c10-5(3-15)9(14)4-1-7(12)8(13)2-6(4)11/h1-2,5,11,15H,3,10H2