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

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide Traditional Name: 3-amoxy-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H21FN2O2S MolecularWeight: 396.477743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

InChI

InChI=1S/C22H21FN2O2S/c1-3-5-6-14-27-17-10-7-9-16(15-17)21(26)24-22-25(13-4-2)20-18(23)11-8-12-19(20)28-22/h2,7-12,15H,3,5-6,13-14H2,1H3