S-[3-azanyl-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-azanyl-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-(3-amino-2-benzyl-3-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-[3-amino-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-(3-amino-2-benzyl-3-oxopropyl) ethanethioate Traditional Name: ethanethioic acid S-(3-amino-2-benzyl-3-keto-propyl) ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C12H15NO2S/c1-9(14)16-8-11(12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,15)