methyl 3-(1-methoxy-1-oxidanylidene-propan-2-yl)oxy-4-(sulfanylmethyl)benzoate

Systemtic Name: methyl 3-(1-methoxy-1-oxidanylidene-propan-2-yl)oxy-4-(sulfanylmethyl)benzoate Openeye Name: methyl 3-(2-methoxy-1-methyl-2-oxo-ethoxy)-4-(sulfanylmethyl)benzoate CAS Name: 4-(mercaptomethyl)-3-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid methyl ester IUPAC Name: methyl 3-(1-methoxy-1-oxopropan-2-yl)oxy-4-(sulfanylmethyl)benzoate Traditional Name: 3-(2-keto-2-methoxy-1-methyl-ethoxy)-4-(mercaptomethyl)benzoic acid methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=CC(=C1)C(=O)OC)CS

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=CC(=C1)C(=O)OC)CS

InChI

InChI=1S/C13H16O5S/c1-8(12(14)16-2)18-11-6-9(13(15)17-3)4-5-10(11)7-19/h4-6,8,19H,7H2,1-3H3