[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(4-methoxyphenoxy)ethylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(4-methoxyphenoxy)ethylcarbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCNC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)OCCNC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C14H22N2O3S/c1-18-11-3-5-12(6-4-11)19-9-8-16-14(17)13(15)7-10-20-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)/p+1/t13-/m0/s1