ethyl 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]thiazol-4-yl]acetic acid ethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H16N2O6S2/c1-2-23-14(19)5-12-8-26-16(17-12)25-7-11-4-13(18(20)21)3-10-6-22-9-24-15(10)11/h3-4,8H,2,5-7,9H2,1H3