methyl 4-[4-methoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanylbenzoate

Systemtic Name: methyl 4-[4-methoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanylbenzoate Openeye Name: methyl 4-(1-formyl-3-methoxy-3-oxo-propyl)sulfanylbenzoate CAS Name: 4-[(4-methoxy-1,4-dioxobutan-2-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-1,4-dioxobutan-2-yl)sulfanylbenzoate Traditional Name: 4-[(1-formyl-3-keto-3-methoxy-propyl)thio]benzoic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-17-12(15)7-11(8-14)19-10-5-3-9(4-6-10)13(16)18-2/h3-6,8,11H,7H2,1-2H3