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

Systemtic Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-ethanamide Openeye Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-acetamide CAS Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonylacetamide IUPAC Name: N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonylacetamide Traditional Name: N-(6-ethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)sulfonyl-acetamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

InChI

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