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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H18BrNO4S/c1-12-9-13(19)3-8-16(12)25-11-18(22)24-10-17(21)20-14-4-6-15(23-2)7-5-14/h3-9H,10-11H2,1-2H3,(H,20,21)