N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxy-benzamide

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxy-benzamide Openeye Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxy-benzamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide IUPAC Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide Traditional Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-ethoxy-benzamide Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CCSC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC(=CC(=C3S2)C)C)CCSC

InChI

InChI=1S/C21H24N2O2S2/c1-5-25-17-8-6-16(7-9-17)20(24)22-21-23(10-11-26-4)18-13-14(2)12-15(3)19(18)27-21/h6-9,12-13H,5,10-11H2,1-4H3