dimethyl 2-[[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(5-bromo-2-thiophenyl)methyl-methylamino]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H17BrN2O5S/c1-20(9-11-5-7-14(18)26-11)17(23)19-13-8-10(15(21)24-2)4-6-12(13)16(22)25-3/h4-8H,9H2,1-3H3,(H,19,23)