(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CSC(=N3)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CSC(=N3)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c23-17(6-15-10-29-19(21-15)12-2-1-3-20-7-12)27-9-14-5-16(22(24)25)4-13-8-26-11-28-18(13)14/h1-5,7,10H,6,8-9,11H2