[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C22H26N2O6/c1-6-29-17-9-7-16(8-10-17)22(28)23-11-18(26)30-15(5)21(27)20-12(2)19(14(4)25)13(3)24-20/h7-10,15,24H,6,11H2,1-5H3,(H,23,28)/t15-/m0/s1