(E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide Traditional Name: (E)-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenyl-acrylamide Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S3/c1-26-13-12-22-17-10-9-16(28(2,24)25)14-18(17)27-20(22)21-19(23)11-8-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/b11-8+,21-20?