[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C17H20N2O6S/c1-2-24-13-5-7-14(8-6-13)26(22,23)19-11-9-17(21)25-12-16(20)15-4-3-10-18-15/h3-8,10,18-19H,2,9,11-12H2,1H3