S-[4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-yl] ethanethioate

Systemtic Name: S-[4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-yl] ethanethioate Openeye Name: S-[3-(benzylamino)-1-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[4-oxo-4-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: S-[4-(benzylamino)-4-oxobutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[3-(benzylamino)-3-keto-1-methyl-propyl] ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CC(CC(=O)NCC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C13H17NO2S/c1-10(17-11(2)15)8-13(16)14-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)