5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one

Systemtic Name: 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one Openeye Name: 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one CAS Name: 5-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one IUPAC Name: 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one Traditional Name: 5-[(E)-3-(3-chlorophenyl)acryloyl]-6-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC2=C(C=C1C(=O)C=CC3=CC(=CC=C3)Cl)SC(=O)O2

Isomeric SMILES

CCN(CC)CCOC1=CC2=C(C=C1C(=O)/C=C/C3=CC(=CC=C3)Cl)SC(=O)O2

InChI

InChI=1S/C22H22ClNO4S/c1-3-24(4-2)10-11-27-19-14-20-21(29-22(26)28-20)13-17(19)18(25)9-8-15-6-5-7-16(23)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3/b9-8+