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

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-isopropyl-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-12(2)13-4-6-15-18(9-13)29-21(23(15)10-19(24)26-3)22-20(25)14-5-7-16-17(8-14)28-11-27-16/h4-9,12H,10-11H2,1-3H3