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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-12-6-8-14(9-7-12)20-19-21-15(11-27-19)10-26-18(23)16-5-3-4-13(2)17(16)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,21)