methyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19NO3S/c1-13-5-3-4-6-15(13)11-23-12-17(20)19-16-9-7-14(8-10-16)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)