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

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic 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)COC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)COC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O7S/c1-3-28-18-9-8-14(10-19(18)27-2)21-22-15(13-31-21)11-30-20(24)12-29-17-7-5-4-6-16(17)23(25)26/h4-10,13H,3,11-12H2,1-2H3