N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-12(18-19-15-5-3-4-6-16(15)26-18)20(2)17(22)11-25-14-9-7-13(8-10-14)21(23)24/h3-10,12H,11H2,1-2H3/t12-/m1/s1