5-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid

Systemtic Name: 5-[4-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(5-ethyl-4-methyl-thiophene-2-carbonyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C19H22N2O7S3 MolecularWeight: 486.58218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O)C

InChI

InChI=1S/C19H22N2O7S3/c1-4-12-10(2)9-13(29-12)16(22)20-5-7-21(8-6-20)31(27,28)19-14(17(23)24)11(3)15(30-19)18(25)26/h9H,4-8H2,1-3H3,(H,23,24)(H,25,26)