[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-phenoxybutanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 4-phenoxybutanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-16-9-11-17(12-10-16)22-21-23-18(15-27-21)14-26-20(24)8-5-13-25-19-6-3-2-4-7-19/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,22,23)