sodium 3-[[2-acetamido-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[2-acetamido-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-acetamido-2-(2-aminothiazol-4-yl)acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-acetamido-2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-acetamido-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-acetamido-2-(2-aminothiazol-4-yl)acetyl]amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonate Formula: C12H14N5NaO8S2 MolecularWeight: 443.38803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])C(=O)OC.[Na+]

Isomeric SMILES

CC(=O)NC(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI

InChI=1S/C12H15N5O8S2.Na/c1-4(18)14-6(5-3-26-12(13)15-5)9(19)16-7-8(11(21)25-2)17(10(7)20)27(22,23)24;/h3,6-8H,1-2H3,(H2,13,15)(H,14,18)(H,16,19)(H,22,23,24);/q;+1/p-1