(2R)-2-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[(2S)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbutanedioate Openeye Name: (2R)-2-[(1S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2R)-2-[[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl]thio]butanedioate IUPAC Name: (2R)-2-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylbutanedioate Traditional Name: (2R)-2-[[(1S)-2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl]thio]succinate Formula: C18H19N3O6S-2 MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)S[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-10-15(17(25)21(20(10)3)12-7-5-4-6-8-12)19-16(24)11(2)28-13(18(26)27)9-14(22)23/h4-8,11,13H,9H2,1-3H3,(H,19,24)(H,22,23)(H,26,27)/p-2/t11-,13+/m0/s1