1-[1,1-bis(oxidanylidene)thian-4-yl]-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(1,1-dioxothian-4-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(1,1-dioxo-4-thianyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(1,1-dioxothian-4-yl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(1,1-diketothian-4-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)CC2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCS(=O)(=O)CC2)C)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-8-7-11(12(14)15)9(2)13(8)10-3-5-18(16,17)6-4-10/h7,10H,3-6H2,1-2H3,(H,14,15)