butyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(piperonyloylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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