N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-benzylsulfonyl-N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]acetamide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C20H22N2O4S3/c1-26-16-8-9-17-18(12-16)28-20(22(17)10-11-27-2)21-19(23)14-29(24,25)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3