ethyl (4S,5S)-4-ethylsulfanylcarbonyl-5-oxidanyl-5-phenyl-pentanoate

Systemtic Name: ethyl (4S,5S)-4-ethylsulfanylcarbonyl-5-oxidanyl-5-phenyl-pentanoate Openeye Name: ethyl (4S,5S)-4-ethylsulfanylcarbonyl-5-hydroxy-5-phenyl-pentanoate CAS Name: (4S,5S)-4-[(ethylthio)-oxomethyl]-5-hydroxy-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-ethylsulfanylcarbonyl-5-hydroxy-5-phenylpentanoate Traditional Name: (4S,5S)-4-(ethylthio)carbonyl-5-hydroxy-5-phenyl-valeric acid ethyl ester Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(C1=CC=CC=C1)O)C(=O)SCC

Isomeric SMILES

CCOC(=O)CC[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)SCC

InChI

InChI=1S/C16H22O4S/c1-3-20-14(17)11-10-13(16(19)21-4-2)15(18)12-8-6-5-7-9-12/h5-9,13,15,18H,3-4,10-11H2,1-2H3/t13-,15+/m0/s1