[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H17BrO4S/c1-12-9-14(19)5-8-17(12)24-11-18(21)23-10-16(20)13-3-6-15(22-2)7-4-13/h3-9H,10-11H2,1-2H3