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

Systemtic Name: 3-methyl-5-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-[4-[2-(methylthio)benzoyl]piperazino]sulfonyl-thiophene-2,4-dicarboxylic acid Formula: C19H20N2O7S3 MolecularWeight: 484.5663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC)C(=O)O

InChI

InChI=1S/C19H20N2O7S3/c1-11-14(17(23)24)19(30-15(11)18(25)26)31(27,28)21-9-7-20(8-10-21)16(22)12-5-3-4-6-13(12)29-2/h3-6H,7-10H2,1-2H3,(H,23,24)(H,25,26)