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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-phenylthiazol-4-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 (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-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 (2-phenylthiazol-4-yl)methyl ester Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S2/c23-20(28-13-16-14-29-21(22-16)15-4-2-1-3-5-15)8-11-30(24,25)17-6-7-18-19(12-17)27-10-9-26-18/h1-7,12,14H,8-11,13H2