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

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-ethoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-ethoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-ethoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-ethoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-carbethoxy-4-keto-azetidine-1-sulfonic acid Formula: C12H15N5O8S2 MolecularWeight: 421.4062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CCOC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C12H15N5O8S2/c1-3-25-11(20)8-7(10(19)17(8)27(21,22)23)15-9(18)6(16-24-2)5-4-26-12(13)14-5/h4,7-8H,3H2,1-2H3,(H2,13,14)(H,15,18)(H,21,22,23)/b16-6+