dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-(3-oxidanylidenepropyl)propanedioate

Systemtic Name: dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-(3-oxidanylidenepropyl)propanedioate Openeye Name: dimethyl 2-[(E,1Z)-1-(ethylsulfanylmethylene)hept-2-enyl]-2-(3-oxopropyl)propanedioate CAS Name: 2-[(1Z,3E)-1-(ethylthio)octa-1,3-dien-2-yl]-2-(3-oxopropyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1Z,3E)-1-ethylsulfanylocta-1,3-dien-2-yl]-2-(3-oxopropyl)propanedioate Traditional Name: 2-[(E,1Z)-1-[(ethylthio)methylene]hept-2-enyl]-2-(3-ketopropyl)malonic acid dimethyl ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=CSCC)C(CCC=O)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCC/C=C/C(=C/SCC)/C(CCC=O)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H28O5S/c1-5-7-8-9-11-15(14-24-6-2)18(12-10-13-19,16(20)22-3)17(21)23-4/h9,11,13-14H,5-8,10,12H2,1-4H3/b11-9+,15-14-