3-[[(2E)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-2-ethanoyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-2-ethanoyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 2-acetyl-3-[[(2E)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-acetyl-3-[[(2E)-2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-4-oxo-1-azetidinesulfonic acid IUPAC Name: 2-acetyl-3-[[(2E)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-acetyl-3-[[(2E)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-4-keto-azetidine-1-sulfonic acid Formula: C13H14ClN5O8S2 MolecularWeight: 467.86196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC)C2=CSC(=N2)NC(=O)CCl

Isomeric SMILES

CC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)NC(=O)CCl

InChI

InChI=1S/C13H14ClN5O8S2/c1-5(20)10-9(12(23)19(10)29(24,25)26)17-11(22)8(18-27-2)6-4-28-13(15-6)16-7(21)3-14/h4,9-10H,3H2,1-2H3,(H,17,22)(H,15,16,21)(H,24,25,26)/b18-8+