3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-(2-methoxy-2-oxo-ethyl)sulfanyl-4-oxo-azetidine-1-sulfonate CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-1-azetidinesulfonate IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoazetidine-1-sulfonate Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-keto-4-[(2-keto-2-methoxy-ethyl)thio]azetidine-1-sulfonate Formula: C12H14N5O8S3- MolecularWeight: 452.46326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

COC(=O)CSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C12H15N5O8S3/c1-24-6(18)4-26-11-8(10(20)17(11)28(21,22)23)15-9(19)7(16-25-2)5-3-27-12(13)14-5/h3,8,11H,4H2,1-2H3,(H2,13,14)(H,15,19)(H,21,22,23)/p-1/b16-7+