7-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzofuran-2-carboxamide CAS Name: 7-methoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Traditional Name: 7-methoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]coumarilamide Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

InChI

InChI=1S/C20H17N3O5S2/c1-27-15-5-3-4-12-10-16(28-18(12)15)19(24)21-20-22(8-9-29-2)14-7-6-13(23(25)26)11-17(14)30-20/h3-7,10-11H,8-9H2,1-2H3