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

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-4-propan-2-ylsulfanyl-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-isopropylsulfanyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-oxo-4-(propan-2-ylthio)-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-4-propan-2-ylsulfanylazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-(isopropylthio)-4-keto-azetidine-1-sulfonic acid Formula: C12H17N5O6S3 MolecularWeight: 423.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC)C2=CSC(=N2)N

Isomeric SMILES

CC(C)SC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)N

InChI

InChI=1S/C12H17N5O6S3/c1-5(2)25-11-8(10(19)17(11)26(20,21)22)15-9(18)7(16-23-3)6-4-24-12(13)14-6/h4-5,8,11H,1-3H3,(H2,13,14)(H,15,18)(H,20,21,22)/b16-7+