[2-[(4-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-methylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-methyl-2-pyridyl)amino]-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-[(4-methyl-2-pyridyl)amino]ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-14-8-10-21-17(12-14)23-18(24)13-27-20(26)16(9-11-28-2)22-19(25)15-6-4-3-5-7-15/h3-8,10,12,16H,9,11,13H2,1-2H3,(H,22,25)(H,21,23,24)/t16-/m0/s1