(phenylmethyl) (2S)-2-methyl-2-propanoylsulfanyl-but-3-enoate

Systemtic Name: (phenylmethyl) (2S)-2-methyl-2-propanoylsulfanyl-but-3-enoate Openeye Name: benzyl (2S)-2-methyl-2-propanoylsulfanyl-but-3-enoate CAS Name: (2S)-2-methyl-2-(1-oxopropylthio)-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-methyl-2-propanoylsulfanylbut-3-enoate Traditional Name: (2S)-2-methyl-2-(propionylthio)but-3-enoic acid benzyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)(C=C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(=O)S[C@@](C)(C=C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H18O3S/c1-4-13(16)19-15(3,5-2)14(17)18-11-12-9-7-6-8-10-12/h5-10H,2,4,11H2,1,3H3/t15-/m0/s1