[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1S)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1S)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H23NO3S/c1-16-10-12-19(13-11-16)28-15-14-22(25)27-17(2)23(26)24-21-9-5-7-18-6-3-4-8-20(18)21/h3-13,17H,14-15H2,1-2H3,(H,24,26)/t17-/m0/s1