(2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carbonyl]amino]-4-(methylthio)butyrate Formula: C23H22N3O5S- MolecularWeight: 452.50288

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O5S/c1-32-12-9-18(23(28)29)24-22(27)17-14-26(16-5-3-2-4-6-16)25-21(17)15-7-8-19-20(13-15)31-11-10-30-19/h2-8,13-14,18H,9-12H2,1H3,(H,24,27)(H,28,29)/p-1/t18-/m0/s1