N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloranyl-N-methyl-4-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloranyl-N-methyl-4-nitro-benzamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-N-methyl-4-nitro-benzamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-N-methyl-4-nitrobenzamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-N-methyl-4-nitrobenzamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-N-methyl-4-nitro-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c1-10(16-19-14-5-3-4-6-15(14)25-16)20(2)17(22)12-8-7-11(21(23)24)9-13(12)18/h3-10H,1-2H3/t10-/m1/s1