2-methoxy-5-[[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]methyl]benzoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)SC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-24-17-9-5-14(11-16(17)19(22)23)12-20-18(21)10-6-13-3-7-15(25-2)8-4-13/h3-11H,12H2,1-2H3,(H,20,21)(H,22,23)/b10-6+