[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H26N2O5S/c1-6-22-14(3)11-18(16(22)5)19(23)12-27-20(24)15(4)21-28(25,26)17-9-7-13(2)8-10-17/h7-11,15,21H,6,12H2,1-5H3/t15-/m0/s1