(3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c22-20(9-14-27-18-6-2-1-3-7-18)26-16-17-5-4-8-19(15-17)28(23,24)21-10-12-25-13-11-21/h1-9,14-15H,10-13,16H2/b14-9+