ethyl (2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(esylmethyl)-3-(1-naphthyl)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C23H31NO5S2 MolecularWeight: 465.62594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC

InChI

InChI=1S/C23H31NO5S2/c1-4-29-23(26)21(13-14-30-3)24-22(25)19(16-31(27,28)5-2)15-18-11-8-10-17-9-6-7-12-20(17)18/h6-12,19,21H,4-5,13-16H2,1-3H3,(H,24,25)/t19?,21-/m0/s1