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

Systemtic Name: S-butyl (2E)-2-[3-(6-methoxy-2,6-dimethyl-heptyl)cyclopent-2-en-1-ylidene]ethanethioate Openeye Name: S-butyl (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-butyl ester IUPAC Name: S-butyl (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-butyl ester Formula: C21H36O2S MolecularWeight: 352.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=O)C=C1CCC(=C1)CC(C)CCCC(C)(C)OC

Isomeric SMILES

CCCCSC(=O)/C=C/1\CCC(=C1)CC(C)CCCC(C)(C)OC

InChI

InChI=1S/C21H36O2S/c1-6-7-13-24-20(22)16-19-11-10-18(15-19)14-17(2)9-8-12-21(3,4)23-5/h15-17H,6-14H2,1-5H3/b19-16+