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

Systemtic Name: methyl 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17N3O7S/c1-28-14-4-5-17(29-2)15(9-14)16-10-31-20(21-16)22-18(24)11-6-12(19(25)30-3)8-13(7-11)23(26)27/h4-10H,1-3H3,(H,21,22,24)