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

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic 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-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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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)SC)Cl)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)SC)Cl)C(=O)C)C

InChI

InChI=1S/C22H21ClN2O3S2/c1-13-5-8-20(14(2)9-13)25(15(3)26)22-24-16(12-30-22)11-28-21(27)18-10-17(29-4)6-7-19(18)23/h5-10,12H,11H2,1-4H3