sodium 2-methoxycarbonyl-4-oxidanylidene-3-[(2-oxidanyl-2-phenyl-ethanoyl)amino]azetidine-1-sulfonate

Systemtic Name: sodium 2-methoxycarbonyl-4-oxidanylidene-3-[(2-oxidanyl-2-phenyl-ethanoyl)amino]azetidine-1-sulfonate Openeye Name: sodium 3-[(2-hydroxy-2-phenyl-acetyl)amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 2-carbomethoxy-4-keto-3-(mandeloylamino)azetidine-1-sulfonate Formula: C13H13N2NaO8S MolecularWeight: 380.30569

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)O.[Na+]

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)O.[Na+]

InChI

InChI=1S/C13H14N2O8S.Na/c1-23-13(19)9-8(12(18)15(9)24(20,21)22)14-11(17)10(16)7-5-3-2-4-6-7;/h2-6,8-10,16H,1H3,(H,14,17)(H,20,21,22);/q;+1/p-1