tert-butyl N-[(2S)-1-(4-methylsulfanylphenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(4-methylsulfanylphenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-(4-methylsulfanylphenyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-(methylthio)phenyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-methylsulfanylphenyl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[4-(methylthio)phenyl]ethyl]carbamic acid tert-butyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)25-20(24)22-18(14-15-8-6-5-7-9-15)19(23)16-10-12-17(26-4)13-11-16/h5-13,18H,14H2,1-4H3,(H,22,24)/t18-/m0/s1