dimethyl 4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]benzene-1,2-dicarboxylate CAS Name: 4-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[4-[(5-bromothiophene-2-carbonyl)amino]phenoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C21H16BrNO6S MolecularWeight: 490.32384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Br)C(=O)OC

InChI

InChI=1S/C21H16BrNO6S/c1-27-20(25)15-8-7-14(11-16(15)21(26)28-2)29-13-5-3-12(4-6-13)23-19(24)17-9-10-18(22)30-17/h3-11H,1-2H3,(H,23,24)