[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H21N3O6S/c1-29-18-4-2-3-15(11-18)21-23-16(14-32-21)13-31-22(26)19-12-17(25(27)28)5-6-20(19)24-7-9-30-10-8-24/h2-6,11-12,14H,7-10,13H2,1H3