N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC4=C(C=C3)OCCO4)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC4=C(C=C3)OCCO4)N2CCSC

InChI

InChI=1S/C20H20N2O4S2/c1-24-14-4-6-18-15(12-14)22(7-10-27-2)20(28-18)21-19(23)13-3-5-16-17(11-13)26-9-8-25-16/h3-6,11-12H,7-10H2,1-2H3