methyl 3-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H20BrNO5S/c1-12-4-5-14(20(25)26-3)9-16(12)22-18(23)10-27-19(24)11-28-17-7-6-15(21)8-13(17)2/h4-9H,10-11H2,1-3H3,(H,22,23)