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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C20H19N3O5S/c1-13-2-4-14(5-3-13)19-22-15(12-29-19)11-28-20(25)17-10-16(23(26)27)6-7-18(17)21-8-9-24/h2-7,10,12,21,24H,8-9,11H2,1H3