methyl 3-[[(2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 3-[[(2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid methyl ester Formula: C20H20ClN3O6S MolecularWeight: 465.9073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6S/c1-30-20(27)13-4-3-5-14(10-13)22-19(26)16(8-9-31-2)23-18(25)12-6-7-15(21)17(11-12)24(28)29/h3-7,10-11,16H,8-9H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1