3-[2-[2,6-bis(chloranyl)pyridin-4-yl]sulfanylethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2,6-bis(chloranyl)pyridin-4-yl]sulfanylethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[(2,6-dichloro-4-pyridyl)sulfanyl]acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[(2,6-dichloro-4-pyridinyl)thio]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2,6-dichloropyridin-4-yl)sulfanylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[(2,6-dichloro-4-pyridyl)thio]acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C10H9Cl2N3O5S2 MolecularWeight: 386.23156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CSC2=CC(=NC(=C2)Cl)Cl

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CSC2=CC(=NC(=C2)Cl)Cl

InChI

InChI=1S/C10H9Cl2N3O5S2/c11-7-1-5(2-8(12)14-7)21-4-9(16)13-6-3-15(10(6)17)22(18,19)20/h1-2,6H,3-4H2,(H,13,16)(H,18,19,20)