(4-methylsulfanylphenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid [4-(methylthio)benzyl] ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C18H18N4O2S/c1-25-16-9-7-15(8-10-16)12-24-18(23)17(22-13-19-20-21-22)11-14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3/t17-/m0/s1