N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-N-methyl-2-nitro-aniline

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-N-methyl-2-nitro-aniline Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-2-nitro-aniline CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-2-nitroaniline IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-2-nitroaniline Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(4-fluoro-2-nitro-phenyl)-methyl-amine Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FN3O2S/c1-10(16-18-12-5-3-4-6-15(12)23-16)19(2)13-8-7-11(17)9-14(13)20(21)22/h3-10H,1-2H3/t10-/m0/s1