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

Systemtic Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzofuran-2-carboxamide CAS Name: 7-methoxy-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-7-methoxy-coumarilamide Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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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)S(=O)(=O)C)CCSC

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CCSC

InChI

InChI=1S/C21H20N2O5S3/c1-27-16-6-4-5-13-11-17(28-19(13)16)20(24)22-21-23(9-10-29-2)15-8-7-14(31(3,25)26)12-18(15)30-21/h4-8,11-12H,9-10H2,1-3H3