methyl 2-[[4-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-[(5-bromo-2-methoxy-benzoyl)amino]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-bromo-2-methoxybenzoyl)amino]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-[(5-bromo-2-methoxy-benzoyl)amino]benzyl]thio]acetic acid methyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

InChI

InChI=1S/C18H18BrNO4S/c1-23-16-8-5-13(19)9-15(16)18(22)20-14-6-3-12(4-7-14)10-25-11-17(21)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)