(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C16H19N3O5S/c1-3-15-18-11(10-25-15)9-24-16(20)13-8-12(19(21)22)4-5-14(13)17-6-7-23-2/h4-5,8,10,17H,3,6-7,9H2,1-2H3