[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H23N3O7S/c1-29-10-9-23-18-8-7-15(25(27)28)11-17(18)22(26)32-12-14-13-33-21(24-14)16-5-4-6-19(30-2)20(16)31-3/h4-8,11,13,23H,9-10,12H2,1-3H3