(3,3-dimethyl-2-oxidanylidene-butyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H19BrO3S MolecularWeight: 395.31066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CSC1=C(C2=CC=CC=C2C=C1)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CSC1=C(C2=CC=CC=C2C=C1)Br

InChI

InChI=1S/C18H19BrO3S/c1-18(2,3)15(20)10-22-16(21)11-23-14-9-8-12-6-4-5-7-13(12)17(14)19/h4-9H,10-11H2,1-3H3