2-[[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-dimethylaminophenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C21H23NO4S/c1-22(2)18-8-4-15(5-9-18)6-10-19(23)16-7-11-20(26-3)17(12-16)13-27-14-21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)/b10-6+