ethyl (1R,2R,4S)-1,2-dimethyl-2-(4-methylphenyl)-4-methylsulfanylcarbothioyloxy-cyclopentane-1-carboxylate

Systemtic Name: ethyl (1R,2R,4S)-1,2-dimethyl-2-(4-methylphenyl)-4-methylsulfanylcarbothioyloxy-cyclopentane-1-carboxylate Openeye Name: ethyl (1R,2R,4S)-1,2-dimethyl-4-methylsulfanylcarbothioyloxy-2-(p-tolyl)cyclopentanecarboxylate CAS Name: (1R,2R,4S)-1,2-dimethyl-2-(4-methylphenyl)-4-[(methylthio)-sulfanylidenemethoxy]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,4S)-1,2-dimethyl-2-(4-methylphenyl)-4-methylsulfanylcarbothioyloxycyclopentane-1-carboxylate Traditional Name: (1R,2R,4S)-1,2-dimethyl-4-(methylthio)carbothioyloxy-2-(p-tolyl)cyclopentanecarboxylic acid ethyl ester Formula: C19H26O3S2 MolecularWeight: 366.53794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(CC1(C)C2=CC=C(C=C2)C)OC(=S)SC)C

Isomeric SMILES

CCOC(=O)[C@@]1(C[C@H](C[C@]1(C)C2=CC=C(C=C2)C)OC(=S)SC)C

InChI

InChI=1S/C19H26O3S2/c1-6-21-16(20)19(4)12-15(22-17(23)24-5)11-18(19,3)14-9-7-13(2)8-10-14/h7-10,15H,6,11-12H2,1-5H3/t15-,18+,19-/m0/s1