[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-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 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O7S/c1-13-6-7-18(14(2)8-13)25(15(3)27)23-24-16(12-34-23)11-33-22(28)17-9-20(31-4)21(32-5)10-19(17)26(29)30/h6-10,12H,11H2,1-5H3