ethyl 2-(1,3-benzodioxol-5-ylcarbonylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbonylimino)-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxole-5-carbonylimino)-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxole-5-carbonylimino)-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-piperonyloylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7S/c1-3-28-20(26)13-4-6-14-17(9-13)31-21(23(14)10-18(24)27-2)22-19(25)12-5-7-15-16(8-12)30-11-29-15/h4-9H,3,10-11H2,1-2H3