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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzofuran-2-carboxamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-benzofurancarboxamide IUPAC Name: 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]coumarilamide Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O4S3/c1-27-10-9-22-15-8-7-14(29(2,24)25)12-18(15)28-20(22)21-19(23)17-11-13-5-3-4-6-16(13)26-17/h3-8,11-12H,9-10H2,1-2H3