1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]methyl]-5-nitro-2-pyridone Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c1-11(16-17-13-5-3-4-6-14(13)24-16)18(2)10-19-9-12(20(22)23)7-8-15(19)21/h3-9,11H,10H2,1-2H3/t11-/m1/s1