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

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-4-10-23-16-11-17(27-2)18(28-3)12-19(16)29-21(23)22-20(24)14-30(25,26)13-15-8-6-5-7-9-15/h1,5-9,11-12H,10,13-14H2,2-3H3