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

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-4-phenethyl-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-oxo-4-phenethyl-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-oxo-4-phenethyl-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-4-phenethylazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-keto-4-phenethyl-azetidine-1-sulfonic acid Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C(N(C2=O)S(=O)(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O6S2/c1-28-21-13(11-9-29-17(18)19-11)15(23)20-14-12(22(16(14)24)30(25,26)27)8-7-10-5-3-2-4-6-10/h2-6,9,12,14H,7-8H2,1H3,(H2,18,19)(H,20,23)(H,25,26,27)/b21-13+