methyl 3-ethylsulfanyl-6,6-dimethyl-hept-4-ynoate

Systemtic Name: methyl 3-ethylsulfanyl-6,6-dimethyl-hept-4-ynoate Openeye Name: methyl 3-ethylsulfanyl-6,6-dimethyl-hept-4-ynoate CAS Name: 3-(ethylthio)-6,6-dimethyl-4-heptynoic acid methyl ester IUPAC Name: methyl 3-ethylsulfanyl-6,6-dimethylhept-4-ynoate Traditional Name: 3-(ethylthio)-6,6-dimethyl-hept-4-ynoic acid methyl ester Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(=O)OC)C#CC(C)(C)C

Isomeric SMILES

CCSC(CC(=O)OC)C#CC(C)(C)C

InChI

InChI=1S/C12H20O2S/c1-6-15-10(9-11(13)14-5)7-8-12(2,3)4/h10H,6,9H2,1-5H3