ethyl (E)-3-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]sulfanylbut-2-enoate

Systemtic Name: ethyl (E)-3-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-3-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]sulfanylbut-2-enoate CAS Name: (E)-3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]sulfanylbut-2-enoate Traditional Name: (E)-3-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]thio]but-2-enoic acid ethyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)SC(=CC(=O)OCC)C

Isomeric SMILES

CCOC(=O)/C=C(/S/C(=C/C(=O)OCC)/C)\C

InChI

InChI=1S/C12H18O4S/c1-5-15-11(13)7-9(3)17-10(4)8-12(14)16-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+