ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-ethoxy-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OCC

InChI

InChI=1S/C21H20N2O6S/c1-3-26-14-6-7-15-18(10-14)30-21(23(15)11-19(24)27-4-2)22-20(25)13-5-8-16-17(9-13)29-12-28-16/h5-10H,3-4,11-12H2,1-2H3