methyl 4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2,4-dimethylphenyl)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(=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-4-9-16(13(2)10-12)23-11-17(20)19-15-7-5-14(6-8-15)18(21)22-3/h4-10H,11H2,1-3H3,(H,19,20)