methyl 3-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-1-phenyl-propyl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-1-phenyl-propyl]sulfanylpropanoate Openeye Name: methyl 3-[2-hydroxy-3-(2-methoxy-2-oxo-ethyl)sulfanyl-1-phenyl-propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-[(2-methoxy-2-oxoethyl)thio]-1-phenylpropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(2-methoxy-2-oxoethyl)sulfanyl-1-phenylpropyl]sulfanylpropanoate Traditional Name: 3-[[2-hydroxy-3-[(2-keto-2-methoxy-ethyl)thio]-1-phenyl-propyl]thio]propionic acid methyl ester Formula: C16H22O5S2 MolecularWeight: 358.47288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC=C1)C(CSCC(=O)OC)O

Isomeric SMILES

COC(=O)CCSC(C1=CC=CC=C1)C(CSCC(=O)OC)O

InChI

InChI=1S/C16H22O5S2/c1-20-14(18)8-9-23-16(12-6-4-3-5-7-12)13(17)10-22-11-15(19)21-2/h3-7,13,16-17H,8-11H2,1-2H3