[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic 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 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S2/c1-16-9-10-21(17(2)13-16)25(18(3)26)23-24-19(15-30-23)14-28-22(27)11-12-29-20-7-5-4-6-8-20/h4-10,13,15H,11-12,14H2,1-3H3