methyl 3-[(3-methanoylphenyl)-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(3-methanoylphenyl)-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate Openeye Name: methyl 3-[(3-formylphenyl)-(3-methoxy-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoate CAS Name: 3-[[(3-formylphenyl)-[(3-methoxy-3-oxopropyl)thio]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-formylphenyl)-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate Traditional Name: 3-[[(3-formylphenyl)-[(3-keto-3-methoxy-propyl)thio]methyl]thio]propionic acid methyl ester Formula: C16H20O5S2 MolecularWeight: 356.457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC(=C1)C=O)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(C1=CC=CC(=C1)C=O)SCCC(=O)OC

InChI

InChI=1S/C16H20O5S2/c1-20-14(18)6-8-22-16(23-9-7-15(19)21-2)13-5-3-4-12(10-13)11-17/h3-5,10-11,16H,6-9H2,1-2H3