(phenylmethyl) (E,2R)-2-methyl-2-propanoylsulfanyl-hept-3-enoate

Systemtic Name: (phenylmethyl) (E,2R)-2-methyl-2-propanoylsulfanyl-hept-3-enoate Openeye Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanyl-hept-3-enoate CAS Name: (E,2R)-2-methyl-2-(1-oxopropylthio)-3-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R)-2-methyl-2-propanoylsulfanylhept-3-enoate Traditional Name: (E,2R)-2-methyl-2-(propionylthio)hept-3-enoic acid benzyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3S/c1-4-6-10-13-18(3,22-16(19)5-2)17(20)21-14-15-11-8-7-9-12-15/h7-13H,4-6,14H2,1-3H3/b13-10+/t18-/m1/s1