N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-ethanamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-ethanamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-acetamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonylacetamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonylacetamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-acetamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

InChI

InChI=1S/C21H20N2O6S2/c1-5-10-23-16-11-17(28-3)18(29-4)12-19(16)30-21(23)22-20(24)13-31(25,26)15-8-6-14(27-2)7-9-15/h1,6-9,11-12H,10,13H2,2-4H3