methyl 4-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-methoxy-3-oxo-propyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-methoxy-3-oxopropyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methoxy-3-oxopropyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-keto-3-methoxy-propyl)thio]methyl]benzoic acid methyl ester Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCSCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H16O4S/c1-16-12(14)7-8-18-9-10-3-5-11(6-4-10)13(15)17-2/h3-6H,7-9H2,1-2H3