2-azanyl-3-oxidanylidene-4-(phenylcarbonylsulfanyl)pentanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-4-(phenylcarbonylsulfanyl)pentanoic acid Openeye Name: 2-amino-4-benzoylsulfanyl-3-oxo-pentanoic acid CAS Name: 2-amino-4-(benzoylthio)-3-oxopentanoic acid IUPAC Name: 2-amino-4-benzoylsulfanyl-3-oxopentanoic acid Traditional Name: 2-amino-4-(benzoylthio)-3-keto-valeric acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-7(10(14)9(13)11(15)16)18-12(17)8-5-3-2-4-6-8/h2-7,9H,13H2,1H3,(H,15,16)