3-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2-aminothiazol-4-yl)acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2-aminothiazol-4-yl)acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C9H12N4O5S2 MolecularWeight: 320.34538

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CSC(=N2)N

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CSC(=N2)N

InChI

InChI=1S/C9H12N4O5S2/c1-4-7(8(15)13(4)20(16,17)18)12-6(14)2-5-3-19-9(10)11-5/h3-4,7H,2H2,1H3,(H2,10,11)(H,12,14)(H,16,17,18)