N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(C=C(C=C3S2)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(C=C(C=C3S2)C)C)OC

InChI

InChI=1S/C19H19N3O5S/c1-5-27-15-9-13(22(24)25)12(8-14(15)26-4)18(23)21-19-20-17-11(3)6-10(2)7-16(17)28-19/h6-9H,5H2,1-4H3,(H,20,21,23)