methyl 2-[[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

InChI

InChI=1S/C20H21BrN2O4S/c1-12-9-17(13(2)8-16(12)21)28-11-18(24)23-15-6-4-14(5-7-15)20(26)22-10-19(25)27-3/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)