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

Systemtic Name: methyl 4-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3S/c1-3-20(10-14-8-9-15(18)24-14)11-16(21)19-13-6-4-12(5-7-13)17(22)23-2/h4-9H,3,10-11H2,1-2H3,(H,19,21)