[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] (2S)-2-benzamido-3-benzylsulfanyl-propanoate CAS Name: (2S)-2-benzamido-3-(phenylmethylthio)propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-benzylsulfanylpropanoate Traditional Name: (2S)-2-benzamido-3-(benzylthio)propionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C24H22ClN3O4S MolecularWeight: 483.96718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)OCC(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22ClN3O4S/c25-19-11-12-21(26-13-19)28-22(29)14-32-24(31)20(16-33-15-17-7-3-1-4-8-17)27-23(30)18-9-5-2-6-10-18/h1-13,20H,14-16H2,(H,27,30)(H,26,28,29)/t20-/m1/s1