(3-methylquinoxalin-2-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O6S/c1-14-18(23-17-5-3-2-4-16(17)22-14)13-29-21(24)8-11-30(25,26)15-6-7-19-20(12-15)28-10-9-27-19/h2-7,12H,8-11,13H2,1H3