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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-30-18-5-3-16(4-6-18)23-22-24-17(14-33-22)13-32-21(27)15-2-7-19(20(12-15)26(28)29)25-8-10-31-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)