methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylethanoate Openeye Name: methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylacetate CAS Name: 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)-1-cyclopent-2-enyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]sulfanylacetate Traditional Name: 2-[[2-ethynyl-3-(4-methylpenta-1,2,3-trienyl)cyclopent-2-en-1-yl]thio]acetic acid methyl ester Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C=CC1=C(C(CC1)SCC(=O)OC)C#C)C

Isomeric SMILES

CC(=C=C=CC1=C(C(CC1)SCC(=O)OC)C#C)C

InChI

InChI=1S/C16H18O2S/c1-5-14-13(8-6-7-12(2)3)9-10-15(14)19-11-16(17)18-4/h1,8,15H,9-11H2,2-4H3