methyl (E)-7-[2-[(E)-5-methoxy-5-oxidanylidene-pent-3-enyl]-1,3-dithian-2-yl]hept-2-enoate

Systemtic Name: methyl (E)-7-[2-[(E)-5-methoxy-5-oxidanylidene-pent-3-enyl]-1,3-dithian-2-yl]hept-2-enoate Openeye Name: methyl (E)-7-[2-[(E)-5-methoxy-5-oxo-pent-3-enyl]-1,3-dithian-2-yl]hept-2-enoate CAS Name: (E)-7-[2-[(E)-5-methoxy-5-oxopent-3-enyl]-1,3-dithian-2-yl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(E)-5-methoxy-5-oxopent-3-enyl]-1,3-dithian-2-yl]hept-2-enoate Traditional Name: (E)-7-[2-[(E)-5-keto-5-methoxy-pent-3-enyl]-1,3-dithian-2-yl]hept-2-enoic acid methyl ester Formula: C18H28O4S2 MolecularWeight: 372.54252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCCC1(SCCCS1)CCC=CC(=O)OC

Isomeric SMILES

COC(=O)/C=C/CCCCC1(SCCCS1)CC/C=C/C(=O)OC

InChI

InChI=1S/C18H28O4S2/c1-21-16(19)10-5-3-4-7-12-18(23-14-9-15-24-18)13-8-6-11-17(20)22-2/h5-6,10-11H,3-4,7-9,12-15H2,1-2H3/b10-5+,11-6+