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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]pyrrole-2-carboxylic acid Openeye Name: 1-(1,1-dioxothian-4-yl)pyrrole-2-carboxylic acid CAS Name: 1-(1,1-dioxo-4-thianyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-(1,1-dioxothian-4-yl)pyrrole-2-carboxylic acid Traditional Name: 1-(1,1-diketothian-4-yl)pyrrole-2-carboxylic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1N2C=CC=C2C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCC1N2C=CC=C2C(=O)O

InChI

InChI=1S/C10H13NO4S/c12-10(13)9-2-1-5-11(9)8-3-6-16(14,15)7-4-8/h1-2,5,8H,3-4,6-7H2,(H,12,13)