methyl (2S)-3-phenyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-27-19(26)17(12-15-8-4-2-5-9-15)22-18(25)13-28-20-23-21-14-24(20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,25)/t17-/m0/s1