[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-oxo-ethyl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid [2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C23H21N3O5/c1-14-11-16(15(2)26(14)21-9-5-6-10-24-21)18(27)13-30-22(28)12-20-23(29)25-17-7-3-4-8-19(17)31-20/h3-11,20H,12-13H2,1-2H3,(H,25,29)/t20-/m0/s1