S-methyl (2E)-2-[3-(6-methoxy-2,6-dimethyl-heptyl)cyclopent-2-en-1-ylidene]ethanethioate

Systemtic Name: S-methyl (2E)-2-[3-(6-methoxy-2,6-dimethyl-heptyl)cyclopent-2-en-1-ylidene]ethanethioate Openeye Name: S-methyl (2E)-2-[3-(6-methoxy-2,6-dimethyl-heptyl)cyclopent-2-en-1-ylidene]ethanethioate CAS Name: (2E)-2-[3-(6-methoxy-2,6-dimethylheptyl)-1-cyclopent-2-enylidene]ethanethioic acid S-methyl ester IUPAC Name: S-methyl (2E)-2-[3-(6-methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-ylidene]ethanethioate Traditional Name: (2E)-2-[3-(6-methoxy-2,6-dimethyl-heptyl)cyclopent-2-en-1-ylidene]ethanethioic acid S-methyl ester Formula: C18H30O2S MolecularWeight: 310.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC)CC1=CC(=CC(=O)SC)CC1

Isomeric SMILES

CC(CCCC(C)(C)OC)CC1=C/C(=C/C(=O)SC)/CC1

InChI

InChI=1S/C18H30O2S/c1-14(7-6-10-18(2,3)20-4)11-15-8-9-16(12-15)13-17(19)21-5/h12-14H,6-11H2,1-5H3/b16-13+