methyl (E,4R)-4-(2-phenylsulfanylpropanoyloxy)hept-2-enoate

Systemtic Name: methyl (E,4R)-4-(2-phenylsulfanylpropanoyloxy)hept-2-enoate Openeye Name: methyl (E,4R)-4-(2-phenylsulfanylpropanoyloxy)hept-2-enoate CAS Name: (E,4R)-4-[1-oxo-2-(phenylthio)propoxy]-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4R)-4-(2-phenylsulfanylpropanoyloxy)hept-2-enoate Traditional Name: (E,4R)-4-[2-(phenylthio)propanoyloxy]hept-2-enoic acid methyl ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CC(=O)OC)OC(=O)C(C)SC1=CC=CC=C1

Isomeric SMILES

CCC[C@H](/C=C/C(=O)OC)OC(=O)C(C)SC1=CC=CC=C1

InChI

InChI=1S/C17H22O4S/c1-4-8-14(11-12-16(18)20-3)21-17(19)13(2)22-15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3/b12-11+/t13?,14-/m1/s1