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

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylcarbamoylamino)-3,3,3-tris(fluoranyl)-2-phenoxy-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4S/c1-27-14(25)17(18(19,20)21,28-11-7-3-2-4-8-11)24-15(26)23-16-22-12-9-5-6-10-13(12)29-16/h2-10H,1H3,(H2,22,23,24,26)