(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H21ClO3S MolecularWeight: 376.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO3S/c1-20(2,3)18(22)12-24-19(23)15-6-4-14(5-7-15)13-25-17-10-8-16(21)9-11-17/h4-11H,12-13H2,1-3H3