methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(4,7-dimethoxy-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCO4)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(C=C3)OCO4)N2CC(=O)OC

InChI

InChI=1S/C20H18N2O7S/c1-25-13-6-7-14(26-2)18-17(13)22(9-16(23)27-3)20(30-18)21-19(24)11-4-5-12-15(8-11)29-10-28-12/h4-8H,9-10H2,1-3H3