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

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5,7-dimethyl-2-piperonyloylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC(=O)OC)C

InChI

InChI=1S/C20H18N2O5S/c1-11-6-12(2)18-14(7-11)22(9-17(23)25-3)20(28-18)21-19(24)13-4-5-15-16(8-13)27-10-26-15/h4-8H,9-10H2,1-3H3