[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C20H22BrNO3S/c1-4-15-7-5-6-13(2)20(15)22-18(23)11-25-19(24)12-26-17-9-8-16(21)10-14(17)3/h5-10H,4,11-12H2,1-3H3,(H,22,23)