N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-(5-methyl-4-p-phenetyl-thiazol-2-yl)-2-nitro-benzamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C21H21N3O6S/c1-5-30-14-8-6-13(7-9-14)19-12(2)31-21(22-19)23-20(25)15-10-17(28-3)18(29-4)11-16(15)24(26)27/h6-11H,5H2,1-4H3,(H,22,23,25)