methyl 3-[2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H19BrN2O4S/c1-20(9-11-8-12(18)4-5-14(11)23-2)10-15(21)19-13-6-7-25-16(13)17(22)24-3/h4-8H,9-10H2,1-3H3,(H,19,21)