S-(4-oxidanylidene-4-phenylazanyl-butan-2-yl) ethanethioate

Systemtic Name: S-(4-oxidanylidene-4-phenylazanyl-butan-2-yl) ethanethioate Openeye Name: S-(3-anilino-1-methyl-3-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-(4-anilino-4-oxobutan-2-yl) ester IUPAC Name: S-(4-anilino-4-oxobutan-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-anilino-3-keto-1-methyl-propyl) ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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