N-(3-acetyloxy-1-oxidanyl-2-phenyl-propyl)carbamothioate

Systemtic Name: N-(3-acetyloxy-1-oxidanyl-2-phenyl-propyl)carbamothioate Openeye Name: N-(3-acetoxy-1-hydroxy-2-phenyl-propyl)carbamothioate CAS Name: N-(3-acetyloxy-1-hydroxy-2-phenylpropyl)carbamothioate IUPAC Name: N-(3-acetyloxy-1-hydroxy-2-phenylpropyl)carbamothioate Traditional Name: N-(3-acetoxy-1-hydroxy-2-phenyl-propyl)thiocarbamate Formula: C12H14NO4S- MolecularWeight: 268.30886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)C(NC(=S)[O-])O

Isomeric SMILES

CC(=O)OCC(C1=CC=CC=C1)C(NC(=S)[O-])O

InChI

InChI=1S/C12H15NO4S/c1-8(14)17-7-10(11(15)13-12(16)18)9-5-3-2-4-6-9/h2-6,10-11,15H,7H2,1H3,(H2,13,16,18)/p-1