2-azido-4-oxidanylidene-3-[[2-(sulfocarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]azetidine-1-sulfonic acid

Systemtic Name: 2-azido-4-oxidanylidene-3-[[2-(sulfocarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]azetidine-1-sulfonic acid Openeye Name: 2-azido-4-oxo-3-[[2-(sulfocarbamoylamino)-2-(2-thienyl)acetyl]amino]azetidine-1-sulfonic acid CAS Name: 2-azido-4-oxo-3-[[1-oxo-2-[[oxo-(sulfoamino)methyl]amino]-2-thiophen-2-ylethyl]amino]-1-azetidinesulfonic acid IUPAC Name: 2-azido-4-oxo-3-[[2-(sulfocarbamoylamino)-2-thiophen-2-ylacetyl]amino]azetidine-1-sulfonic acid Traditional Name: 2-azido-4-keto-3-[[2-(sulfocarbamoylamino)-2-(2-thienyl)acetyl]amino]azetidine-1-sulfonic acid Formula: C10H11N7O9S3 MolecularWeight: 469.43084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(=O)NC2C(N(C2=O)S(=O)(=O)O)N=[N+]=[N-])NC(=O)NS(=O)(=O)O

Isomeric SMILES

C1=CSC(=C1)C(C(=O)NC2C(N(C2=O)S(=O)(=O)O)N=[N+]=[N-])NC(=O)NS(=O)(=O)O

InChI

InChI=1S/C10H11N7O9S3/c11-16-14-7-6(9(19)17(7)29(24,25)26)12-8(18)5(4-2-1-3-27-4)13-10(20)15-28(21,22)23/h1-3,5-7H,(H,12,18)(H2,13,15,20)(H,21,22,23)(H,24,25,26)