S-ethyl (2E,7E)-9-(furan-3-yl)-6,6-dimethyl-9-oxidanylidene-nona-2,7-dienethioate

Systemtic Name: S-ethyl (2E,7E)-9-(furan-3-yl)-6,6-dimethyl-9-oxidanylidene-nona-2,7-dienethioate Openeye Name: S-ethyl (2E,7E)-9-(3-furyl)-6,6-dimethyl-9-oxo-nona-2,7-dienethioate CAS Name: (2E,7E)-9-(3-furanyl)-6,6-dimethyl-9-oxonona-2,7-dienethioic acid S-ethyl ester IUPAC Name: S-ethyl (2E,7E)-9-(furan-3-yl)-6,6-dimethyl-9-oxonona-2,7-dienethioate Traditional Name: (2E,7E)-9-(3-furyl)-9-keto-6,6-dimethyl-nona-2,7-dienethioic acid S-ethyl ester Formula: C17H22O3S MolecularWeight: 306.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C=CCCC(C)(C)C=CC(=O)C1=COC=C1

Isomeric SMILES

CCSC(=O)/C=C/CCC(C)(C)/C=C/C(=O)C1=COC=C1

InChI

InChI=1S/C17H22O3S/c1-4-21-16(19)7-5-6-10-17(2,3)11-8-15(18)14-9-12-20-13-14/h5,7-9,11-13H,4,6,10H2,1-3H3/b7-5+,11-8+