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

Systemtic Name: 4-ethoxy-5-methoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: 4-ethoxy-5-methoxy-N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-2-nitro-benzamide CAS Name: 4-ethoxy-5-methoxy-N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: 4-ethoxy-5-methoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: 4-ethoxy-5-methoxy-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-2-nitro-benzamide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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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)SC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-4-28-18-10-16(23(25)26)14(9-17(18)27-2)19(24)22-20-21-15(11-30-20)12-5-7-13(29-3)8-6-12/h5-11H,4H2,1-3H3,(H,21,22,24)