(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(2-phenylsulfanylethylamino)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(2-phenylsulfanylethylamino)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-(2-phenylsulfanylethylcarbamoyl)propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-[2-(phenylthio)ethylamino]butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-(2-phenylsulfanylethylamino)butan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[2-(phenylthio)ethylcarbamoyl]propyl]carbamic acid benzyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-16(2)19(23-21(25)26-15-17-9-5-3-6-10-17)20(24)22-13-14-27-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,22,24)(H,23,25)/t19-/m0/s1