5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-methoxy-1,3-benzoxathiol-2-one

Systemtic Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-methoxy-1,3-benzoxathiol-2-one Openeye Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-methoxy-1,3-benzoxathiol-2-one CAS Name: 5-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-6-methoxy-1,3-benzoxathiol-2-one IUPAC Name: 5-[(E)-3-(4-bromophenyl)prop-2-enoyl]-6-methoxy-1,3-benzoxathiol-2-one Traditional Name: 5-[(E)-3-(4-bromophenyl)acryloyl]-6-methoxy-1,3-benzoxathiol-2-one Formula: C17H11BrO4S MolecularWeight: 391.23584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C(=O)C=CC3=CC=C(C=C3)Br)SC(=O)O2

Isomeric SMILES

COC1=CC2=C(C=C1C(=O)/C=C/C3=CC=C(C=C3)Br)SC(=O)O2

InChI

InChI=1S/C17H11BrO4S/c1-21-14-9-15-16(23-17(20)22-15)8-12(14)13(19)7-4-10-2-5-11(18)6-3-10/h2-9H,1H3/b7-4+