ethyl 2-[3-[[2-[3,3,3-tris(fluoranyl)propylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[2-[3,3,3-tris(fluoranyl)propylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[[2-(3,3,3-trifluoropropylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetate CAS Name: 2-[3-[oxo-[[2-(3,3,3-trifluoropropylthio)-1,3-benzothiazol-6-yl]amino]methyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-(3,3,3-trifluoropropylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]acetate Traditional Name: 2-[3-[[2-(3,3,3-trifluoropropylthio)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetic acid ethyl ester Formula: C20H18F3N3O3S2 MolecularWeight: 469.50043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(F)(F)F

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(F)(F)F

InChI

InChI=1S/C20H18F3N3O3S2/c1-2-29-17(27)11-15-13(4-3-8-24-15)18(28)25-12-5-6-14-16(10-12)31-19(26-14)30-9-7-20(21,22)23/h3-6,8,10H,2,7,9,11H2,1H3,(H,25,28)