dimethyl (E)-2-[[2-(2-propylsulfinylphenyl)phenyl]amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[[2-(2-propylsulfinylphenyl)phenyl]amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-(2-propylsulfinylphenyl)anilino]but-2-enedioate CAS Name: (E)-2-[2-(2-propylsulfinylphenyl)anilino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-(2-propylsulfinylphenyl)anilino]but-2-enedioate Traditional Name: (E)-2-[2-(2-propylsulfinylphenyl)anilino]but-2-enedioic acid dimethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=CC=CC=C1C2=CC=CC=C2NC(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CCCS(=O)C1=CC=CC=C1C2=CC=CC=C2N/C(=C/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-4-13-28(25)19-12-8-6-10-16(19)15-9-5-7-11-17(15)22-18(21(24)27-3)14-20(23)26-2/h5-12,14,22H,4,13H2,1-3H3/b18-14+