3-[[(Z)-3-(4-phenoxyphenyl)-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(Z)-3-(4-phenoxyphenyl)-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(Z)-3-(4-phenoxyphenyl)-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(Z)-2-(mercaptomethyl)-1-oxo-3-(4-phenoxyphenyl)prop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(Z)-3-(4-phenoxyphenyl)-2-(sulfanylmethyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(Z)-2-(mercaptomethyl)-3-(4-phenoxyphenyl)acryloyl]amino]propionic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C=C(CS)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=C(\CS)/C(=O)NCCC(=O)O

InChI

InChI=1S/C19H19NO4S/c21-18(22)10-11-20-19(23)15(13-25)12-14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,12,25H,10-11,13H2,(H,20,23)(H,21,22)/b15-12+