3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-4-propyl-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-4-propyl-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-oxo-4-propyl-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-oxo-4-propyl-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-4-propylazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-keto-4-propyl-azetidine-1-sulfonic acid Formula: C12H17N5O6S2 MolecularWeight: 391.42328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CCCC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C12H17N5O6S2/c1-3-4-7-9(11(19)17(7)25(20,21)22)15-10(18)8(16-23-2)6-5-24-12(13)14-6/h5,7,9H,3-4H2,1-2H3,(H2,13,14)(H,15,18)(H,20,21,22)/b16-8+