methyl 5-methyl-4-methylidene-2-(3-methylphenyl)sulfanyl-hex-5-enoate

Systemtic Name: methyl 5-methyl-4-methylidene-2-(3-methylphenyl)sulfanyl-hex-5-enoate Openeye Name: methyl 5-methyl-4-methylene-2-(m-tolylsulfanyl)hex-5-enoate CAS Name: 5-methyl-4-methylene-2-[(3-methylphenyl)thio]-5-hexenoic acid methyl ester IUPAC Name: methyl 5-methyl-4-methylidene-2-(3-methylphenyl)sulfanylhex-5-enoate Traditional Name: 5-methyl-4-methylene-2-(m-tolylthio)hex-5-enoic acid methyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC(CC(=C)C(=C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)SC(CC(=C)C(=C)C)C(=O)OC

InChI

InChI=1S/C16H20O2S/c1-11(2)13(4)10-15(16(17)18-5)19-14-8-6-7-12(3)9-14/h6-9,15H,1,4,10H2,2-3,5H3