(3-methylphenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (3-methylphenyl)methyl 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: m-tolylmethyl 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]propanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propionic acid (3-methylbenzyl) ester Formula: C19H20FNO3S MolecularWeight: 361.430403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H20FNO3S/c1-13-4-3-5-15(10-13)11-24-19(23)14(2)25-12-18(22)21-17-8-6-16(20)7-9-17/h3-10,14H,11-12H2,1-2H3,(H,21,22)