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

Systemtic Name: methyl 2-[[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c1-12-9-14(20)5-8-16(12)27-11-17(23)22-15-6-3-13(4-7-15)19(25)21-10-18(24)26-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)