N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-(benzenesulfonyl)-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(benzenesulfonyl)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-besyl-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H22N2O5S3 MolecularWeight: 466.59408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=CC=C3)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=CC=C3)S2)CCSC)OC

InChI

InChI=1S/C20H22N2O5S3/c1-26-16-11-15-18(12-17(16)27-2)29-20(22(15)9-10-28-3)21-19(23)13-30(24,25)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3