1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-fluorophenyl)sulfonylamino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O4S2/c1-11(20-26(22,23)13-8-6-12(18)7-9-13)17(21)24-10-16-19-14-4-2-3-5-15(14)25-16/h2-9,11,20H,10H2,1H3/t11-/m0/s1