(2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O6S/c1-3-27-18-9-15(16(22(24)25)10-17(18)26-2)20(23)28-11-14-12-29-19(21-14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3