methyl 3-(1-oxidanylidene-5-phenylmethoxy-pentan-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(1-oxidanylidene-5-phenylmethoxy-pentan-2-yl)sulfanylpropanoate Openeye Name: methyl 3-(4-benzyloxy-1-formyl-butyl)sulfanylpropanoate CAS Name: 3-[(1-oxo-5-phenylmethoxypentan-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-oxo-5-phenylmethoxypentan-2-yl)sulfanylpropanoate Traditional Name: 3-[(4-benzoxy-1-formyl-butyl)thio]propionic acid methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CCCOCC1=CC=CC=C1)C=O

Isomeric SMILES

COC(=O)CCSC(CCCOCC1=CC=CC=C1)C=O

InChI

InChI=1S/C16H22O4S/c1-19-16(18)9-11-21-15(12-17)8-5-10-20-13-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,13H2,1H3