dimethyl 3-methyl-5-[3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-[4-(2-thenoyl)piperazino]propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H25N3O6S2/c1-13-16(20(27)29-2)18(32-17(13)21(28)30-3)22-15(25)6-7-23-8-10-24(11-9-23)19(26)14-5-4-12-31-14/h4-5,12H,6-11H2,1-3H3,(H,22,25)