3-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C12H12Cl2N2O5S2 MolecularWeight: 399.27008

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O5S2/c1-6-11(12(18)16(6)23(19,20)21)15-10(17)5-22-9-4-7(13)2-3-8(9)14/h2-4,6,11H,5H2,1H3,(H,15,17)(H,19,20,21)