ethyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C16H15N3O7S/c1-2-25-14(20)8-18-11-7-10(19(22)23)3-4-13(11)27-16(18)17-15(21)12-9-24-5-6-26-12/h3-4,7,9H,2,5-6,8H2,1H3