(E)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-phenylprop-2-enamide Traditional Name: (E)-N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenyl-acrylamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C=CC3=CC=CC=C3)S2)CCSC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-25-17-13-16-19(14-18(17)26-2)28-21(23(16)11-12-27-3)22-20(24)10-9-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3/b10-9+,22-21?