propan-2-ylideneazanium; sulfo (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate; chloride

Systemtic Name: propan-2-ylideneazanium; sulfo (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate; chloride Openeye Name: isopropylideneammonium; sulfo (2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetate; chloride CAS Name: (2Z)-2-(2-amino-4-thiazolyl)-2-methoxyiminoacetic acid sulfo ester; propan-2-ylideneammonium; chloride IUPAC Name: propan-2-ylideneazanium; sulfo (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate; chloride Traditional Name: (2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetic acid sulfo ester; isopropylideneammonium; chloride Formula: C9H15ClN4O6S2 MolecularWeight: 374.8216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH2+])C.CON=C(C1=CSC(=N1)N)C(=O)OS(=O)(=O)O.[Cl-]

Isomeric SMILES

CC(=[NH2+])C.CO/N=C(/C1=CSC(=N1)N)\C(=O)OS(=O)(=O)O.[Cl-]

InChI

InChI=1S/C6H7N3O6S2.C3H7N.ClH/c1-14-9-4(3-2-16-6(7)8-3)5(10)15-17(11,12)13;1-3(2)4;/h2H,1H3,(H2,7,8)(H,11,12,13);4H,1-2H3;1H/b9-4-;;