(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S/c1-3-24-15-7-6-12(9-14(15)20(22)23)18(21)25-10-13-11(2)26-17(19-13)16-5-4-8-27-16/h4-9H,3,10H2,1-2H3