[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O7S/c1-4-29-18-8-5-13(10-19(18)28-3)20-22-15(12-31-20)11-30-21(24)14-6-7-17(27-2)16(9-14)23(25)26/h5-10,12H,4,11H2,1-3H3