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

Systemtic Name: tert-butyl 5-[(4-chlorophenyl)carbonylsulfanylmethyl]thiolane-3-carboxylate Openeye Name: tert-butyl 5-[(4-chlorobenzoyl)sulfanylmethyl]tetrahydrothiophene-3-carboxylate CAS Name: 5-[[[(4-chlorophenyl)-oxomethyl]thio]methyl]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-chlorobenzoyl)sulfanylmethyl]thiolane-3-carboxylate Traditional Name: 5-[[(4-chlorobenzoyl)thio]methyl]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C17H21ClO3S2 MolecularWeight: 372.92984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClO3S2/c1-17(2,3)21-15(19)12-8-14(22-9-12)10-23-16(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3