3-(1-azanylindazol-3-yl)propanoyl 3,3,3-tris(fluoranyl)-2-(sulfanylmethyl)propanoate

Systemtic Name: 3-(1-azanylindazol-3-yl)propanoyl 3,3,3-tris(fluoranyl)-2-(sulfanylmethyl)propanoate Openeye Name: 3-(1-aminoindazol-3-yl)propanoyl 3,3,3-trifluoro-2-(sulfanylmethyl)propanoate CAS Name: 3,3,3-trifluoro-2-(mercaptomethyl)propanoic acid [3-(1-amino-3-indazolyl)-1-oxopropyl] ester IUPAC Name: 3-(1-aminoindazol-3-yl)propanoyl 3,3,3-trifluoro-2-(sulfanylmethyl)propanoate Traditional Name: 3,3,3-trifluoro-2-(mercaptomethyl)propionic acid 3-(1-aminoindazol-3-yl)propanoyl ester Formula: C14H14F3N3O3S MolecularWeight: 361.33947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2N)CCC(=O)OC(=O)C(CS)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2N)CCC(=O)OC(=O)C(CS)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O3S/c15-14(16,17)9(7-24)13(22)23-12(21)6-5-10-8-3-1-2-4-11(8)20(18)19-10/h1-4,9,24H,5-7,18H2