2-(2,4-dimethylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(2,4-dimethylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-(2,4-dimethylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C)C

InChI

InChI=1S/C21H20N2O3S2/c1-5-10-23-18-9-8-17(28(4,25)26)13-19(18)27-21(23)22-20(24)12-16-7-6-14(2)11-15(16)3/h1,6-9,11,13H,10,12H2,2-4H3