ethyl 2,3-dimethoxy-4-[2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-yl]benzoate

Systemtic Name: ethyl 2,3-dimethoxy-4-[2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-yl]benzoate Openeye Name: ethyl 2,3-dimethoxy-4-[2-[(4-nitrophenyl)methyl]thiazol-4-yl]benzoate CAS Name: 2,3-dimethoxy-4-[2-[(4-nitrophenyl)methyl]-4-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 2,3-dimethoxy-4-[2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-yl]benzoate Traditional Name: 2,3-dimethoxy-4-[2-(4-nitrobenzyl)thiazol-4-yl]benzoic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)C2=CSC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)C2=CSC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

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