dimethyl 5-[3-[(4-bromophenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-bromophenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-bromophenyl)methyl-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-bromophenyl)methyl-methylamino]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-bromophenyl)methyl-methylamino]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-bromobenzyl)-methyl-amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-12-16(19(25)27-3)18(29-17(12)20(26)28-4)22-15(24)9-10-23(2)11-13-5-7-14(21)8-6-13/h5-8H,9-11H2,1-4H3,(H,22,24)