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

Systemtic Name: [2-[ethanoyl-(4-ethylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [2-(N-acetyl-4-ethyl-anilino)thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(N-acetyl-4-ethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=C(C(=CC=C3)C)[N+](=O)[O-])C(=O)C

Isomeric SMILES

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

InChI

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