methyl 2-[1-[(3-methanoylphenyl)methylsulfanyl]ethylsulfanyl]propanoate

Systemtic Name: methyl 2-[1-[(3-methanoylphenyl)methylsulfanyl]ethylsulfanyl]propanoate Openeye Name: methyl 2-[1-[(3-formylphenyl)methylsulfanyl]ethylsulfanyl]propanoate CAS Name: 2-[1-[(3-formylphenyl)methylthio]ethylthio]propanoic acid methyl ester IUPAC Name: methyl 2-[1-[(3-formylphenyl)methylsulfanyl]ethylsulfanyl]propanoate Traditional Name: 2-[1-[(3-formylbenzyl)thio]ethylthio]propionic acid methyl ester Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S2/c1-10(14(16)17-3)19-11(2)18-9-13-6-4-5-12(7-13)8-15/h4-8,10-11H,9H2,1-3H3