(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)imino-ethanoic acid

Systemtic Name: (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)imino-ethanoic acid Openeye Name: (2E)-2-(2-aminothiazol-4-yl)-2-[2-oxo-2-(1-piperidyl)ethoxy]imino-acetic acid CAS Name: (2E)-2-(2-amino-4-thiazolyl)-2-[2-oxo-2-(1-piperidinyl)ethoxy]iminoacetic acid IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetic acid Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-(2-keto-2-piperidino-ethyl)oximino-acetic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CON=C(C2=CSC(=N2)N)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)CO/N=C(\C2=CSC(=N2)N)/C(=O)O

InChI

InChI=1S/C12H16N4O4S/c13-12-14-8(7-21-12)10(11(18)19)15-20-6-9(17)16-4-2-1-3-5-16/h7H,1-6H2,(H2,13,14)(H,18,19)/b15-10+