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

Systemtic Name: 3-methyl-5-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-[4-(3-methylthiophene-2-carbonyl)piperazino]sulfonyl-thiophene-2,4-dicarboxylic acid Formula: C17H18N2O7S3 MolecularWeight: 458.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(S3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C17H18N2O7S3/c1-9-3-8-27-12(9)14(20)18-4-6-19(7-5-18)29(25,26)17-11(15(21)22)10(2)13(28-17)16(23)24/h3,8H,4-7H2,1-2H3,(H,21,22)(H,23,24)