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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: 5-ethoxy-4-methoxy-N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-nitro-benzamide Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=C(S2)CC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O7S/c1-4-30-19-9-14(15(25(27)28)10-17(19)29-3)21(26)24-22-23-12(2)20(33-22)8-13-5-6-16-18(7-13)32-11-31-16/h5-7,9-10H,4,8,11H2,1-3H3,(H,23,24,26)