[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H20N2O7S/c25-21(24-18-5-1-4-17-16(18)3-2-9-23-17)14-31-22(26)8-12-32(27,28)15-6-7-19-20(13-15)30-11-10-29-19/h1-7,9,13H,8,10-12,14H2,(H,24,25)