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

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c1-4-26-16-8-12(14(21(23)24)9-15(16)25-3)19(22)27-10-13-11(2)28-18(20-13)17-6-5-7-29-17/h5-9H,4,10H2,1-3H3