3-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C11H10Cl2N2O5S2 MolecularWeight: 385.2435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2N2O5S2/c12-6-1-2-7(13)9(3-6)21-5-10(16)14-8-4-15(11(8)17)22(18,19)20/h1-3,8H,4-5H2,(H,14,16)(H,18,19,20)