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

Systemtic Name: 2-(2-acetamidoethylsulfanyl)-3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 2-(2-acetamidoethylsulfanyl)-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-4-oxo-azetidine-1-sulfonate CAS Name: 2-(2-acetamidoethylthio)-3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-4-oxo-1-azetidinesulfonate IUPAC Name: 2-(2-acetamidoethylsulfanyl)-3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonate Traditional Name: 2-(2-acetamidoethylthio)-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-4-keto-azetidine-1-sulfonate Formula: C13H17N6O7S3- MolecularWeight: 465.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CC(=O)NCCSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C13H18N6O7S3/c1-6(20)15-3-4-27-12-9(11(22)19(12)29(23,24)25)17-10(21)8(18-26-2)7-5-28-13(14)16-7/h5,9,12H,3-4H2,1-2H3,(H2,14,16)(H,15,20)(H,17,21)(H,23,24,25)/p-1/b18-8+