[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [(1S)-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [(2S)-1-[[2-[(2S)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [(1S)-2-keto-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H25N3O3S/c1-4-15(2)25-20(11-12-23-25)24-22(27)16(3)28-21(26)14-29-19-10-9-17-7-5-6-8-18(17)13-19/h5-13,15-16H,4,14H2,1-3H3,(H,24,27)/t15-,16-/m0/s1