dimethyl 3-methylidene-2-[2-(phenylmethylsulfanyl)ethyl]cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 3-methylidene-2-[2-(phenylmethylsulfanyl)ethyl]cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 2-(2-benzylsulfanylethyl)-3-methylene-cyclohexane-1,1-dicarboxylate CAS Name: 3-methylene-2-[2-(phenylmethylthio)ethyl]cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-benzylsulfanylethyl)-3-methylidenecyclohexane-1,1-dicarboxylate Traditional Name: 2-[2-(benzylthio)ethyl]-3-methylene-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC(=C)C1CCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCCC(=C)C1CCSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H26O4S/c1-15-8-7-12-20(18(21)23-2,19(22)24-3)17(15)11-13-25-14-16-9-5-4-6-10-16/h4-6,9-10,17H,1,7-8,11-14H2,2-3H3