methyl (2S)-2-[(4-methylphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(p-tolylmethylcarbamoylamino)butanoate CAS Name: (2S)-2-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylphenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-methylbenzyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-11-4-6-12(7-5-11)10-16-15(19)17-13(8-9-21-3)14(18)20-2/h4-7,13H,8-10H2,1-3H3,(H2,16,17,19)/t13-/m0/s1