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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)C

InChI

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