S-(2-methyl-3-oxidanylidene-3-phenylazanyl-propyl) ethanethioate

Systemtic Name: S-(2-methyl-3-oxidanylidene-3-phenylazanyl-propyl) ethanethioate Openeye Name: S-(3-anilino-2-methyl-3-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-(3-anilino-2-methyl-3-oxopropyl) ester IUPAC Name: S-(3-anilino-2-methyl-3-oxopropyl) ethanethioate Traditional Name: ethanethioic acid S-(3-anilino-3-keto-2-methyl-propyl) ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)