[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O4S/c1-14-11-15(21)7-8-17(14)23-18(24)12-22-19(25)13-27-20(26)9-10-28-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,22,25)(H,23,24)