[(2R,3S)-2-methyl-1-oxidanylidene-1-(phenylmethylsulfanyl)pentan-3-yl] propanoate

Systemtic Name: [(2R,3S)-2-methyl-1-oxidanylidene-1-(phenylmethylsulfanyl)pentan-3-yl] propanoate Openeye Name: [(1S,2R)-3-benzylsulfanyl-1-ethyl-2-methyl-3-oxo-propyl] propanoate CAS Name: propanoic acid [(2R,3S)-2-methyl-1-oxo-1-(phenylmethylthio)pentan-3-yl] ester IUPAC Name: [(2R,3S)-1-benzylsulfanyl-2-methyl-1-oxopentan-3-yl] propanoate Traditional Name: propionic acid [(1S,2R)-3-(benzylthio)-1-ethyl-3-keto-2-methyl-propyl] ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)SCC1=CC=CC=C1)OC(=O)CC

Isomeric SMILES

CC[C@@H]([C@@H](C)C(=O)SCC1=CC=CC=C1)OC(=O)CC

InChI

InChI=1S/C16H22O3S/c1-4-14(19-15(17)5-2)12(3)16(18)20-11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3/t12-,14+/m1/s1