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

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-6-butyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-butyl-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OCC

InChI

InChI=1S/C23H24N2O5S/c1-3-5-6-15-7-9-17-20(11-15)31-23(25(17)13-21(26)28-4-2)24-22(27)16-8-10-18-19(12-16)30-14-29-18/h7-12H,3-6,13-14H2,1-2H3