3,4,5-triethoxy-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,4,5-triethoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,4,5-triethoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,4,5-triethoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,4,5-triethoxy-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H23FN2O4S MolecularWeight: 442.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

InChI

InChI=1S/C23H23FN2O4S/c1-5-12-26-20-16(24)10-9-11-19(20)31-23(26)25-22(27)15-13-17(28-6-2)21(30-8-4)18(14-15)29-7-3/h1,9-11,13-14H,6-8,12H2,2-4H3