ethyl 5-[(triphenylmethyl)sulfanylmethyl]thiolane-3-carboxylate

Systemtic Name: ethyl 5-[(triphenylmethyl)sulfanylmethyl]thiolane-3-carboxylate Openeye Name: ethyl 5-(tritylsulfanylmethyl)tetrahydrothiophene-3-carboxylate CAS Name: 5-[[(triphenylmethyl)thio]methyl]-3-thiolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(tritylsulfanylmethyl)thiolane-3-carboxylate Traditional Name: 5-[(tritylthio)methyl]tetrahydrothiophene-3-carboxylic acid ethyl ester Formula: C27H28O2S2 MolecularWeight: 448.64002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(SC1)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC(SC1)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28O2S2/c1-2-29-26(28)21-18-25(30-19-21)20-31-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25H,2,18-20H2,1H3