S-(4-benzamido-3-oxidanylidene-butan-2-yl) ethanethioate

Systemtic Name: S-(4-benzamido-3-oxidanylidene-butan-2-yl) ethanethioate Openeye Name: S-(3-benzamido-1-methyl-2-oxo-propyl) ethanethioate CAS Name: ethanethioic acid S-(4-benzamido-3-oxobutan-2-yl) ester IUPAC Name: S-(4-benzamido-3-oxobutan-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-benzamido-2-keto-1-methyl-propyl) ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-9(18-10(2)15)12(16)8-14-13(17)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17)