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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H20N2O4S2/c1-3-12-23-18-11-10-17(27-4-2)13-19(18)28-21(23)22-20(24)15-29(25,26)14-16-8-6-5-7-9-16/h1,5-11,13H,4,12,14-15H2,2H3