[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-13-8-9-18(15(3)10-13)24(16(4)26)22-23-17(12-31-22)11-30-21(27)20-14(2)6-5-7-19(20)25(28)29/h5-10,12H,11H2,1-4H3