(2S)-4-ethanoyl-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3-oxidanylidene-1,2-dihydropyrrol-5-olate

Systemtic Name: (2S)-4-ethanoyl-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3-oxidanylidene-1,2-dihydropyrrol-5-olate Openeye Name: (2S)-4-acetyl-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3-oxo-1,2-dihydropyrrol-5-olate CAS Name: (2S)-4-acetyl-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3-oxo-1,2-dihydropyrrol-5-olate IUPAC Name: (2S)-4-acetyl-2-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-3-oxo-1,2-dihydropyrrol-5-olate Traditional Name: (5S)-3-acetyl-4-keto-5-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2-pyrrolin-2-olate Formula: C20H21N2O3- MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC=C1)NC=C2CC3C(=O)C(=C(N3)[O-])C(=O)C)C

Isomeric SMILES

CC(=CCC1=C2C(=CC=C1)NC=C2C[C@H]3C(=O)C(=C(N3)[O-])C(=O)C)C

InChI

InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21-22,25H,8-9H2,1-3H3/p-1/t16-/m0/s1