3-[[(2Z)-2-(2-azanylidene-3-methylsulfonyl-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2Z)-2-(2-azanylidene-3-methylsulfonyl-1,3-thiazol-4-yl)-2-propan-2-yloxyimino-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2Z)-2-(2-imino-3-methylsulfonyl-thiazol-4-yl)-2-isopropoxyimino-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2Z)-2-(2-imino-3-methylsulfonyl-4-thiazolyl)-1-oxo-2-propan-2-yloxyiminoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2Z)-2-(2-imino-3-methylsulfonyl-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2Z)-2-(2-imino-3-mesyl-4-thiazolin-4-yl)-2-isopropyloximino-acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C12H17N5O8S3 MolecularWeight: 455.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)ON=C(C1=CSC(=N)N1S(=O)(=O)C)C(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CC(C)O/N=C(/C1=CSC(=N)N1S(=O)(=O)C)\C(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C12H17N5O8S3/c1-6(2)25-15-9(8-5-26-12(13)17(8)27(3,20)21)10(18)14-7-4-16(11(7)19)28(22,23)24/h5-7,13H,4H2,1-3H3,(H,14,18)(H,22,23,24)/b13-12?,15-9-