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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-25-6-5-19-16-3-2-14(21(23)24)8-15(16)18(22)26-9-13-11-28-17(20-13)12-4-7-27-10-12/h2-4,7-8,10-11,19H,5-6,9H2,1H3