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

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic 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 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C23H23ClN2O3S2 MolecularWeight: 475.02332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)CCSC3=CC=CC=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)CCSC3=CC=CC=C3)C(=O)C)C

InChI

InChI=1S/C23H23ClN2O3S2/c1-15-11-16(2)22(20(24)12-15)26(17(3)27)23-25-18(14-31-23)13-29-21(28)9-10-30-19-7-5-4-6-8-19/h4-8,11-12,14H,9-10,13H2,1-3H3