N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitro-benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OCCOC)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OCCOC)OC

InChI

InChI=1S/C20H21N3O6S/c1-22(12-19-21-14-6-4-5-7-18(14)30-19)20(24)13-10-16(28-3)17(29-9-8-27-2)11-15(13)23(25)26/h4-7,10-11H,8-9,12H2,1-3H3