dimethyl 5-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H21BrN2O5S2/c1-5-21(8-11-6-7-12(19)27-11)9-13(22)20-16-14(17(23)25-3)10(2)15(28-16)18(24)26-4/h6-7H,5,8-9H2,1-4H3,(H,20,22)