[2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C19H16ClN3O6S/c1-10-6-11(2)17(14(20)7-10)22(12(3)24)19-21-13(9-30-19)8-28-18(25)15-4-5-16(29-15)23(26)27/h4-7,9H,8H2,1-3H3