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

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-methyl-2-nitro-phenoxy)acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N(C)[C@@H](C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-12-8-9-16(15(10-12)22(24)25)26-11-18(23)21(3)13(2)19-20-14-6-4-5-7-17(14)27-19/h4-10,13H,11H2,1-3H3/t13-/m0/s1