1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl]pyrazole-3-carboxylate Formula: C16H16N3O3- MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)N3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)N3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C16H17N3O3/c1-10-9-12-5-3-4-6-14(12)19(10)15(20)11(2)18-8-7-13(17-18)16(21)22/h3-8,10-11H,9H2,1-2H3,(H,21,22)/p-1/t10-,11-/m0/s1