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

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22BrNO4S/c1-14-11-16(21)5-8-18(14)27-13-20(24)26-12-19(23)22-10-9-15-3-6-17(25-2)7-4-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,23)