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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide CAS Name: 3-methylsulfonyl-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H20N2O5S4 MolecularWeight: 484.6325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S4/c1-27-10-9-21-16-8-7-15(30(3,25)26)12-17(16)28-19(21)20-18(22)13-5-4-6-14(11-13)29(2,23)24/h4-8,11-12H,9-10H2,1-3H3