3-methyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(3-oxopiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(3-oxo-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-(3-ketopiperazino)sulfonyl-3-methyl-2-thenoic acid Formula: C10H12N2O5S2 MolecularWeight: 304.34268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCNC(=O)C2)C(=O)O

InChI

InChI=1S/C10H12N2O5S2/c1-6-4-8(18-9(6)10(14)15)19(16,17)12-3-2-11-7(13)5-12/h4H,2-3,5H2,1H3,(H,11,13)(H,14,15)