2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]ethanoate

Systemtic Name: 2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]ethanoate Openeye Name: 2-[(3S)-1-benzyl-4-ethoxycarbonyl-5-methyl-2-oxo-3H-pyrrol-3-yl]acetate CAS Name: 2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrol-3-yl]acetate IUPAC Name: 2-[(3S)-1-benzyl-4-ethoxycarbonyl-5-methyl-2-oxo-3H-pyrrol-3-yl]acetate Traditional Name: 2-[(3S)-1-benzyl-4-carbethoxy-2-keto-5-methyl-2-pyrrolin-3-yl]acetate Formula: C17H18NO5- MolecularWeight: 316.32852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1CC(=O)[O-])CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)[C@H]1CC(=O)[O-])CC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO5/c1-3-23-17(22)15-11(2)18(10-12-7-5-4-6-8-12)16(21)13(15)9-14(19)20/h4-8,13H,3,9-10H2,1-2H3,(H,19,20)/p-1/t13-/m0/s1