methyl 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-p-dioxin-5-carbonylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=COCCO3

InChI

InChI=1S/C14H12N2O5S/c1-19-13(18)8-2-3-9-11(6-8)22-14(15-9)16-12(17)10-7-20-4-5-21-10/h2-3,6-7H,4-5H2,1H3,(H,15,16,17)