2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H16BrN3O5S MolecularWeight: 466.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H16BrN3O5S/c1-9-4-10(2)17(12(19)5-9)27-8-15(23)20-18-21-16-13(26-3)6-11(22(24)25)7-14(16)28-18/h4-7H,8H2,1-3H3,(H,20,21,23)