[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H17BrO3S MolecularWeight: 429.32688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H17BrO3S/c1-14-6-8-16(9-7-14)18(23)12-25-20(24)13-26-19-11-10-15-4-2-3-5-17(15)21(19)22/h2-11H,12-13H2,1H3