1-phenylsulfanylethyl (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoate

Systemtic Name: 1-phenylsulfanylethyl (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoate Openeye Name: 1-phenylsulfanylethyl (2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetate CAS Name: (2E)-2-(2-amino-4-thiazolyl)-2-hydroxyiminoacetic acid 1-(phenylthio)ethyl ester IUPAC Name: 1-phenylsulfanylethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetic acid 1-(phenylthio)ethyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(=NO)C1=CSC(=N1)N)SC2=CC=CC=C2

Isomeric SMILES

CC(OC(=O)/C(=N/O)/C1=CSC(=N1)N)SC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S2/c1-8(21-9-5-3-2-4-6-9)19-12(17)11(16-18)10-7-20-13(14)15-10/h2-8,18H,1H3,(H2,14,15)/b16-11+