[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate

Systemtic Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate Openeye Name: [(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3N2)C

InChI

InChI=1S/C21H22N2O5/c1-5-27-21(26)17-11(2)18(22-12(17)3)19(24)13(4)28-20(25)16-10-14-8-6-7-9-15(14)23-16/h6-10,13,22-23H,5H2,1-4H3/t13-/m0/s1