methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4O3S/c1-27-20(26)17(11-12-28-2)21-19(25)15-9-7-14(8-10-15)13-24-18-6-4-3-5-16(18)22-23-24/h3-10,17H,11-13H2,1-2H3,(H,21,25)/t17-/m0/s1