5-(2-diethylaminoethyloxy)-4-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxathiol-2-one

Systemtic Name: 5-(2-diethylaminoethyloxy)-4-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxathiol-2-one Openeye Name: 5-(2-diethylaminoethyloxy)-4-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxathiol-2-one CAS Name: 5-(2-diethylaminoethyloxy)-4-[(E)-1-oxo-3-phenylprop-2-enyl]-1,3-benzoxathiol-2-one IUPAC Name: 5-(2-diethylaminoethyloxy)-4-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxathiol-2-one Traditional Name: 5-(2-diethylaminoethyloxy)-4-[(E)-3-phenylacryloyl]-1,3-benzoxathiol-2-one Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C2=C(C=C1)OC(=O)S2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC1=C(C2=C(C=C1)OC(=O)S2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-3-23(4-2)14-15-26-18-12-13-19-21(28-22(25)27-19)20(18)17(24)11-10-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3/b11-10+