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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H22N4O5S/c1-15-2-4-16(5-3-15)23-22-24-17(14-32-22)13-31-21(27)19-12-18(26(28)29)6-7-20(19)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,23,24)