(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6S2/c25-21(30-14-17-15-31-22(24-17)16-5-2-1-3-6-16)7-4-10-23-32(26,27)18-8-9-19-20(13-18)29-12-11-28-19/h1-3,5-6,8-9,13,15,23H,4,7,10-12,14H2