3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-thiophen-2-yl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-thiophen-2-yl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-(2-thienyl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[[methyl(methylcarbamoyl)amino]-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-thiophen-2-ylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[[2-[[methyl(methylcarbamoyl)carbamoyl]amino]-2-(2-thienyl)acetyl]amino]azetidine-1-sulfonic acid Formula: C13H17N5O7S2 MolecularWeight: 419.43338

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C(=O)NC(C1=CC=CS1)C(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CNC(=O)N(C)C(=O)NC(C1=CC=CS1)C(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C13H17N5O7S2/c1-14-12(21)17(2)13(22)16-9(8-4-3-5-26-8)10(19)15-7-6-18(11(7)20)27(23,24)25/h3-5,7,9H,6H2,1-2H3,(H,14,21)(H,15,19)(H,16,22)(H,23,24,25)