methyl 2-[[(1Z)-1-butylidene-3-oxidanylidene-4,5,6,7-tetrahydro-2-benzofuran-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[(1Z)-1-butylidene-3-oxidanylidene-4,5,6,7-tetrahydro-2-benzofuran-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(1Z)-1-butylidene-3-oxo-4,5,6,7-tetrahydroisobenzofuran-4-yl]sulfanyl]acetate CAS Name: 2-[[(1Z)-1-butylidene-3-oxo-4,5,6,7-tetrahydroisobenzofuran-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(1Z)-1-butylidene-3-oxo-4,5,6,7-tetrahydro-2-benzofuran-4-yl]sulfanyl]acetate Traditional Name: 2-[[(1Z)-1-butylidene-3-keto-4,5,6,7-tetrahydroisobenzofuran-4-yl]thio]acetic acid methyl ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C2=C(C(CCC2)SCC(=O)OC)C(=O)O1

Isomeric SMILES

CCC/C=C\1/C2=C(C(CCC2)SCC(=O)OC)C(=O)O1

InChI

InChI=1S/C15H20O4S/c1-3-4-7-11-10-6-5-8-12(14(10)15(17)19-11)20-9-13(16)18-2/h7,12H,3-6,8-9H2,1-2H3/b11-7-