sodium 2-oxidanylidene-3-[2-(2-thiophen-2-ylethanoylamino)propanoylamino]azetidine-1-sulfonate

Systemtic Name: sodium 2-oxidanylidene-3-[2-(2-thiophen-2-ylethanoylamino)propanoylamino]azetidine-1-sulfonate Openeye Name: sodium 2-oxo-3-[2-[[2-(2-thienyl)acetyl]amino]propanoylamino]azetidine-1-sulfonate CAS Name: sodium 2-oxo-3-[[1-oxo-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propyl]amino]-1-azetidinesulfonate IUPAC Name: sodium 2-oxo-3-[2-[(2-thiophen-2-ylacetyl)amino]propanoylamino]azetidine-1-sulfonate Traditional Name: sodium 2-keto-3-[2-[[2-(2-thienyl)acetyl]amino]propanoylamino]azetidine-1-sulfonate Formula: C12H14N3NaO6S2 MolecularWeight: 383.37583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CN(C1=O)S(=O)(=O)[O-])NC(=O)CC2=CC=CS2.[Na+]

Isomeric SMILES

CC(C(=O)NC1CN(C1=O)S(=O)(=O)[O-])NC(=O)CC2=CC=CS2.[Na+]

InChI

InChI=1S/C12H15N3O6S2.Na/c1-7(13-10(16)5-8-3-2-4-22-8)11(17)14-9-6-15(12(9)18)23(19,20)21;/h2-4,7,9H,5-6H2,1H3,(H,13,16)(H,14,17)(H,19,20,21);/q;+1/p-1