6-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-[(1,1-dioxothiolan-3-yl)-methyl-amino]pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[(1,1-diketothiolan-3-yl)-methyl-amino]nicotinic acid Formula: C11H13ClN2O4S MolecularWeight: 304.74992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C11H13ClN2O4S/c1-14(8-2-3-19(17,18)6-8)10-9(12)4-7(5-13-10)11(15)16/h4-5,8H,2-3,6H2,1H3,(H,15,16)