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

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-butylsulfanyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-butylsulfanyl-4-oxo-azetidine-1-sulfonate CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-(butylthio)-4-oxo-1-azetidinesulfonate IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-butylsulfanyl-4-oxoazetidine-1-sulfonate Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-(butylthio)-4-keto-azetidine-1-sulfonate Formula: C13H18N5O6S3- MolecularWeight: 436.50692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CCCCSC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C13H19N5O6S3/c1-3-4-5-25-12-9(11(20)18(12)27(21,22)23)16-10(19)8(17-24-2)7-6-26-13(14)15-7/h6,9,12H,3-5H2,1-2H3,(H2,14,15)(H,16,19)(H,21,22,23)/p-1/b17-8+