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

Systemtic Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one Openeye Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one CAS Name: 4-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-5-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one IUPAC Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-(2-diethylaminoethyloxy)-1,3-benzoxathiol-2-one Traditional Name: 4-[(E)-3-(4-chlorophenyl)acryloyl]-5-(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=C(C2=C(C=C1)OC(=O)S2)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO4S/c1-3-24(4-2)13-14-27-18-11-12-19-21(29-22(26)28-19)20(18)17(25)10-7-15-5-8-16(23)9-6-15/h5-12H,3-4,13-14H2,1-2H3/b10-7+