2-(2-methylphenoxy)ethyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(2-methylphenoxy)ethyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(2-methylphenoxy)ethyl (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid 2-(2-methylphenoxy)ethyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)[C@H](CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-14-5-3-4-6-19(14)29-10-11-30-21(26)18(9-12-31-2)23-20(25)16-8-7-15(24(27)28)13-17(16)22/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)/t18-/m0/s1