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

Systemtic Name: 3-methyl-5-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-[4-[3-(2-thienyl)propanoyl]piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-(1-oxo-3-thiophen-2-ylpropyl)-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-[4-[3-(2-thienyl)propanoyl]piperazino]sulfonyl-thiophene-2,4-dicarboxylic acid Formula: C18H20N2O7S3 MolecularWeight: 472.5556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H20N2O7S3/c1-11-14(16(22)23)18(29-15(11)17(24)25)30(26,27)20-8-6-19(7-9-20)13(21)5-4-12-3-2-10-28-12/h2-3,10H,4-9H2,1H3,(H,22,23)(H,24,25)