ethyl 3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(naphthalen-2-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2-naphthylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(2-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-naphthylmethylthio)acetyl]amino]benzoic acid ethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO3S/c1-2-26-22(25)19-8-5-9-20(13-19)23-21(24)15-27-14-16-10-11-17-6-3-4-7-18(17)12-16/h3-13H,2,14-15H2,1H3,(H,23,24)