dimethyl (3E)-3-[3-(phenylmethylsulfanyl)propylidene]cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (3E)-3-[3-(phenylmethylsulfanyl)propylidene]cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (3E)-3-(3-benzylsulfanylpropylidene)cyclohexane-1,1-dicarboxylate CAS Name: (3E)-3-[3-(phenylmethylthio)propylidene]cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3E)-3-(3-benzylsulfanylpropylidene)cyclohexane-1,1-dicarboxylate Traditional Name: (3E)-3-[3-(benzylthio)propylidene]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(=CCCSCC2=CC=CC=C2)C1)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC/C(=C\CCSCC2=CC=CC=C2)/C1)C(=O)OC

InChI

InChI=1S/C20H26O4S/c1-23-18(21)20(19(22)24-2)12-6-10-16(14-20)11-7-13-25-15-17-8-4-3-5-9-17/h3-5,8-9,11H,6-7,10,12-15H2,1-2H3/b16-11+