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

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-6-31-20-11-16(18(26(28)29)12-19(20)30-5)21(27)25-22-24-17(13-32-22)14-7-9-15(10-8-14)23(2,3)4/h7-13H,6H2,1-5H3,(H,24,25,27)