(E)-2-azanyloxy-4-(2-azanyl-1,3-thiazol-4-yl)-2-methyl-5-(3-oxidanidylbenzotriazol-3-ium-1-yl)-5-oxidanylidene-pent-3-enoic acid

Systemtic Name: (E)-2-azanyloxy-4-(2-azanyl-1,3-thiazol-4-yl)-2-methyl-5-(3-oxidanidylbenzotriazol-3-ium-1-yl)-5-oxidanylidene-pent-3-enoic acid Openeye Name: (E)-2-aminooxy-4-(2-aminothiazol-4-yl)-2-methyl-5-(3-oxidobenzotriazol-3-ium-1-yl)-5-oxo-pent-3-enoic acid CAS Name: (E)-2-aminooxy-4-(2-amino-4-thiazolyl)-2-methyl-5-(3-oxido-1-benzotriazol-3-iumyl)-5-oxo-3-pentenoic acid IUPAC Name: (E)-2-aminooxy-4-(2-amino-1,3-thiazol-4-yl)-2-methyl-5-(3-oxidobenzotriazol-3-ium-1-yl)-5-oxopent-3-enoic acid Traditional Name: (E)-2-aminooxy-4-(2-aminothiazol-4-yl)-5-keto-2-methyl-5-(3-oxidobenzotriazol-3-ium-1-yl)pent-3-enoic acid Formula: C15H14N6O5S MolecularWeight: 390.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C1=CSC(=N1)N)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])(C(=O)O)ON

Isomeric SMILES

CC(/C=C(\C1=CSC(=N1)N)/C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])(C(=O)O)ON

InChI

InChI=1S/C15H14N6O5S/c1-15(26-17,13(23)24)6-8(9-7-27-14(16)18-9)12(22)20-10-4-2-3-5-11(10)21(25)19-20/h2-7H,17H2,1H3,(H2,16,18)(H,23,24)/b8-6+