2-[[2-methoxy-5-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(2-thienyl)acryloyl]benzyl]thio]acetic acid Formula: C17H16O4S2 MolecularWeight: 348.43654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CS2)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CS2)CSCC(=O)O

InChI

InChI=1S/C17H16O4S2/c1-21-16-7-4-12(9-13(16)10-22-11-17(19)20)15(18)6-5-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,19,20)/b6-5+