S-methyl (1S,2R,3S)-2,3-bis(4-methylphenyl)-5-oxidanylidene-cyclopentane-1-carbothioate

Systemtic Name: S-methyl (1S,2R,3S)-2,3-bis(4-methylphenyl)-5-oxidanylidene-cyclopentane-1-carbothioate Openeye Name: S-methyl (1S,2R,3S)-5-oxo-2,3-bis(p-tolyl)cyclopentanecarbothioate CAS Name: (1S,2R,3S)-2,3-bis(4-methylphenyl)-5-oxo-1-cyclopentanecarbothioic acid S-methyl ester IUPAC Name: S-methyl (1S,2R,3S)-2,3-bis(4-methylphenyl)-5-oxocyclopentane-1-carbothioate Traditional Name: (1S,2R,3S)-5-keto-2,3-bis(p-tolyl)cyclopentanecarbothioic acid S-methyl ester Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C2C3=CC=C(C=C3)C)C(=O)SC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=O)[C@H]([C@@H]2C3=CC=C(C=C3)C)C(=O)SC

InChI

InChI=1S/C21H22O2S/c1-13-4-8-15(9-5-13)17-12-18(22)20(21(23)24-3)19(17)16-10-6-14(2)7-11-16/h4-11,17,19-20H,12H2,1-3H3/t17-,19-,20-/m1/s1