(phenylmethyl) 2-[methyl(4-sulfanylidenehexanoyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[methyl(4-sulfanylidenehexanoyl)amino]ethanoate Openeye Name: benzyl 2-[methyl(4-thioxohexanoyl)amino]acetate CAS Name: 2-[methyl-(1-oxo-4-sulfanylidenehexyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[methyl(4-sulfanylidenehexanoyl)amino]acetate Traditional Name: 2-[methyl(4-thioxohexanoyl)amino]acetic acid benzyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)CCC(=O)N(C)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(=S)CCC(=O)N(C)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO3S/c1-3-14(21)9-10-15(18)17(2)11-16(19)20-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3