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

Systemtic Name: ethyl 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S/c1-4-31-20(26)13-7-12(8-14(9-13)24(27)28)19(25)23-21-22-17(11-32-21)16-10-15(29-2)5-6-18(16)30-3/h5-11H,4H2,1-3H3,(H,22,23,25)