(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-chloranyl-1,3-thiazol-2-yl)sulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(4-chloranyl-1,3-thiazol-2-yl)sulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-chlorothiazol-2-yl)sulfanylbenzoate CAS Name: 2-[(4-chloro-2-thiazolyl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]benzoate Traditional Name: 2-[(4-chlorothiazol-2-yl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H16ClNO3S2 MolecularWeight: 369.88614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=NC(=CS2)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=NC(=CS2)Cl

InChI

InChI=1S/C16H16ClNO3S2/c1-16(2,3)12(19)8-21-14(20)10-6-4-5-7-11(10)23-15-18-13(17)9-22-15/h4-7,9H,8H2,1-3H3