2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-25-17-10-7-15(8-11-17)9-12-19(22)21-18(20(23)24)14-26-13-16-5-3-2-4-6-16/h2-12,18H,13-14H2,1H3,(H,21,22)(H,23,24)/b12-9+