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

Systemtic Name: sodium 3-[2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 2-carbomethoxy-3-[[2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]acetyl]amino]-4-keto-azetidine-1-sulfonate Formula: C12H12ClN4NaO8S2 MolecularWeight: 462.81845

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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.[Na+]

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CSC(=N2)NC(=O)CCl.[Na+]

InChI

InChI=1S/C12H13ClN4O8S2.Na/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);/q;+1/p-1