3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3,4,5-trimethoxy-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxy-benzamide Formula: C21H24N2O6S3 MolecularWeight: 496.62006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C21H24N2O6S3/c1-27-16-10-13(11-17(28-2)19(16)29-3)20(24)22-21-23(8-9-30-4)15-7-6-14(32(5,25)26)12-18(15)31-21/h6-7,10-12H,8-9H2,1-5H3