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

Systemtic Name: 4-[(E)-3-[4-(2-dimethylaminoethyloxy)phenyl]prop-2-enoyl]-5-methoxy-1,3-benzoxathiol-2-one Openeye Name: 4-[(E)-3-[4-(2-dimethylaminoethyloxy)phenyl]prop-2-enoyl]-5-methoxy-1,3-benzoxathiol-2-one CAS Name: 4-[(E)-3-[4-(2-dimethylaminoethyloxy)phenyl]-1-oxoprop-2-enyl]-5-methoxy-1,3-benzoxathiol-2-one IUPAC Name: 4-[(E)-3-[4-(2-dimethylaminoethyloxy)phenyl]prop-2-enoyl]-5-methoxy-1,3-benzoxathiol-2-one Traditional Name: 4-[(E)-3-[4-(2-dimethylaminoethyloxy)phenyl]acryloyl]-5-methoxy-1,3-benzoxathiol-2-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=CC3=C2SC(=O)O3)OC

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC3=C2SC(=O)O3)OC

InChI

InChI=1S/C21H21NO5S/c1-22(2)12-13-26-15-7-4-14(5-8-15)6-9-16(23)19-17(25-3)10-11-18-20(19)28-21(24)27-18/h4-11H,12-13H2,1-3H3/b9-6+