N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide Formula: C21H19FN2O3S2 MolecularWeight: 430.515563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O3S2/c1-4-12-24-20-17(22)6-5-7-18(20)28-21(24)23-19(25)13-15-8-10-16(11-9-15)29(26,27)14(2)3/h1,5-11,14H,12-13H2,2-3H3