methyl 2-[3-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]phenoxy]ethanoate Openeye Name: methyl 2-[3-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]phenoxy]acetate CAS Name: 2-[3-[[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]phenoxy]acetate Traditional Name: 2-[3-[[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]amino]phenoxy]acetic acid methyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H23BrN2O5S/c1-28-19(25)13-29-15-7-5-6-14(12-15)23-21(27)18(10-11-30-2)24-20(26)16-8-3-4-9-17(16)22/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,27)(H,24,26)