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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S/c1-4-28-19-9-16(17(23(25)26)10-18(19)27-3)21(24)29-11-15-12-30-20(22-15)14-7-5-13(2)6-8-14/h5-10,12H,4,11H2,1-3H3