S-(3-azanyl-3-oxidanylidene-2-phenyl-propyl) ethanethioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-2-phenyl-propyl) ethanethioate Openeye Name: S-(3-amino-3-oxo-2-phenyl-propyl) ethanethioate CAS Name: ethanethioic acid S-(3-amino-3-oxo-2-phenylpropyl) ester IUPAC Name: S-(3-amino-3-oxo-2-phenylpropyl) ethanethioate Traditional Name: ethanethioic acid S-(3-amino-3-keto-2-phenyl-propyl) ester Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S/c1-8(13)15-7-10(11(12)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,12,14)