methyl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(3-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=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

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