(3,3-dimethyl-2-oxidanylidene-butyl) 2-(thiophen-3-ylmethylsulfanyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(thiophen-3-ylmethylsulfanyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-thienylmethylsulfanyl)benzoate CAS Name: 2-(3-thiophenylmethylthio)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(thiophen-3-ylmethylsulfanyl)benzoate Traditional Name: 2-(3-thenylthio)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H20O3S2 MolecularWeight: 348.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=C2

InChI

InChI=1S/C18H20O3S2/c1-18(2,3)16(19)10-21-17(20)14-6-4-5-7-15(14)23-12-13-8-9-22-11-13/h4-9,11H,10,12H2,1-3H3