2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-10-4-11(2)6-13(5-10)26-9-16(22)19-18-20-17-14(25-3)7-12(21(23)24)8-15(17)27-18/h4-8H,9H2,1-3H3,(H,19,20,22)