N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxy-ethanamide

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxy-ethanamide Openeye Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxy-acetamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide IUPAC Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide Traditional Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-phenoxy-acetamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C20H22N2O3S2/c1-3-24-16-9-10-17-18(13-16)27-20(22(17)11-12-26-2)21-19(23)14-25-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3