N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CCSC

InChI

InChI=1S/C19H20N2O4S3/c1-25-14-6-9-16-17(12-14)27-19(21(16)10-11-26-2)20-18(22)13-4-7-15(8-5-13)28(3,23)24/h4-9,12H,10-11H2,1-3H3