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

Systemtic Name: methyl (2S)-3-phenyl-2-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-26-20(25)17(12-15-8-4-2-5-9-15)22-19(24)14-28-21-23-18(13-27-21)16-10-6-3-7-11-16/h2-11,13,17H,12,14H2,1H3,(H,22,24)/t17-/m0/s1