ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O7S/c1-2-28-19(25)10-22-14-9-13(23(26)27)4-6-17(14)31-20(22)21-18(24)8-12-3-5-15-16(7-12)30-11-29-15/h3-7,9H,2,8,10-11H2,1H3