butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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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)OCCO4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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