S-methyl (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-methyl-cyclopent-2-ene-1-carbothioate

Systemtic Name: S-methyl (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-methyl-cyclopent-2-ene-1-carbothioate Openeye Name: S-methyl (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-2-methyl-cyclopent-2-ene-1-carbothioate CAS Name: (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-methyl-1-cyclopent-2-enecarbothioic acid S-methyl ester IUPAC Name: S-methyl (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-methylcyclopent-2-ene-1-carbothioate Traditional Name: (1S,5R)-5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-2-methyl-cyclopent-2-ene-1-carbothioic acid S-methyl ester Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C1C(=O)SC)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC[C@@H]([C@@H]1C(=O)SC)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18O3S/c1-11-3-6-13(16(11)17(18)21-2)7-4-12-5-8-14-15(9-12)20-10-19-14/h3-5,7-9,13,16H,6,10H2,1-2H3/b7-4+/t13-,16-/m1/s1