(2-acetamido-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C16H18N2O3S2/c1-11-3-5-14(6-4-11)22-8-7-15(20)21-9-13-10-23-16(18-13)17-12(2)19/h3-6,10H,7-9H2,1-2H3,(H,17,18,19)