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

Systemtic Name: methyl 4-[2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)methyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-thienyl)methyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S/c1-19(9-13-7-8-14(17)23-13)10-15(20)18-12-5-3-11(4-6-12)16(21)22-2/h3-8H,9-10H2,1-2H3,(H,18,20)