S-methyl (1S,5R)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-cyclopent-2-ene-1-carbothioate

Systemtic Name: S-methyl (1S,5R)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-cyclopent-2-ene-1-carbothioate Openeye Name: S-methyl (1S,5R)-5-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-cyclopent-2-ene-1-carbothioate CAS Name: (1S,5R)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-1-cyclopent-2-enecarbothioic acid S-methyl ester IUPAC Name: S-methyl (1S,5R)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methylcyclopent-2-ene-1-carbothioate Traditional Name: (1S,5R)-5-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-cyclopent-2-ene-1-carbothioic acid S-methyl ester Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C1C(=O)SC)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC[C@@H]([C@@H]1C(=O)SC)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20O2S/c1-12-4-8-14(16(12)17(18)20-3)9-5-13-6-10-15(19-2)11-7-13/h4-7,9-11,14,16H,8H2,1-3H3/b9-5+/t14-,16-/m1/s1