3-[2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 2-carbomethoxy-3-[[2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]acetyl]amino]-4-keto-azetidine-1-sulfonic acid Formula: C12H13ClN4O8S2 MolecularWeight: 440.83662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CSC(=N2)NC(=O)CCl

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CSC(=N2)NC(=O)CCl

InChI

InChI=1S/C12H13ClN4O8S2/c1-25-11(21)9-8(10(20)17(9)27(22,23)24)15-6(18)2-5-4-26-12(14-5)16-7(19)3-13/h4,8-9H,2-3H2,1H3,(H,15,18)(H,14,16,19)(H,22,23,24)