N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)C)C)OC

InChI

InChI=1S/C21H21N3O5S/c1-5-29-19-10-17(24(26)27)15(9-18(19)28-4)20(25)23-21-22-16(11-30-21)14-7-6-12(2)13(3)8-14/h6-11H,5H2,1-4H3,(H,22,23,25)