methyl 4-[[(5-bromanylthiophen-2-yl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-bromanylthiophen-2-yl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(5-bromothiophene-2-carbonyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[(5-bromo-2-thiophenyl)-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-bromothiophene-2-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(5-bromothiophene-2-carbonyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C15H14BrNO3S MolecularWeight: 368.24556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(S2)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H14BrNO3S/c1-17(14(18)12-7-8-13(16)21-12)9-10-3-5-11(6-4-10)15(19)20-2/h3-8H,9H2,1-2H3