tert-butyl 5-[(4-chlorophenyl)methylsulfanylmethyl]thiolane-3-carboxylate

Systemtic Name: tert-butyl 5-[(4-chlorophenyl)methylsulfanylmethyl]thiolane-3-carboxylate Openeye Name: tert-butyl 5-[(4-chlorophenyl)methylsulfanylmethyl]tetrahydrothiophene-3-carboxylate CAS Name: 5-[[(4-chlorophenyl)methylthio]methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-chlorophenyl)methylsulfanylmethyl]thiolane-3-carboxylate Traditional Name: 5-[[(4-chlorobenzyl)thio]methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C17H23ClO2S2 MolecularWeight: 358.94632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(SC1)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(SC1)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClO2S2/c1-17(2,3)20-16(19)13-8-15(22-10-13)11-21-9-12-4-6-14(18)7-5-12/h4-7,13,15H,8-11H2,1-3H3