ethyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-tris(fluoranyl)-2-phenoxy-propanoate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-tris(fluoranyl)-2-phenoxy-propanoate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxy-propanoate CAS Name: 2-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-3,3,3-trifluoro-2-phenoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxypropanoate Traditional Name: 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-trifluoro-2-phenoxy-propionic acid ethyl ester Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3

InChI

InChI=1S/C19H16F3N3O4S/c1-2-28-15(26)18(19(20,21)22,29-12-8-4-3-5-9-12)25-16(27)24-17-23-13-10-6-7-11-14(13)30-17/h3-11H,2H2,1H3,(H2,23,24,25,27)