benzotriazol-1-yl (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(pyridin-4-ylmethoxyimino)ethanoate

Systemtic Name: benzotriazol-1-yl (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(pyridin-4-ylmethoxyimino)ethanoate Openeye Name: benzotriazol-1-yl (2Z)-2-(2-aminothiazol-4-yl)-2-(4-pyridylmethoxyimino)acetate CAS Name: (2Z)-2-(2-amino-4-thiazolyl)-2-(pyridin-4-ylmethoxyimino)acetic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(pyridin-4-ylmethoxyimino)acetate Traditional Name: (2Z)-2-(2-aminothiazol-4-yl)-2-(4-pyridylmethyloximino)acetic acid benzotriazol-1-yl ester Formula: C17H13N7O3S MolecularWeight: 395.39522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2OC(=O)C(=NOCC3=CC=NC=C3)C4=CSC(=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2OC(=O)/C(=N\OCC3=CC=NC=C3)/C4=CSC(=N4)N

InChI

InChI=1S/C17H13N7O3S/c18-17-20-13(10-28-17)15(22-26-9-11-5-7-19-8-6-11)16(25)27-24-14-4-2-1-3-12(14)21-23-24/h1-8,10H,9H2,(H2,18,20)/b22-15-