3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-2-(mercaptomethyl)-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-phenyl-2-(sulfanylmethyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-2-(mercaptomethyl)-3-phenyl-acryloyl]amino]butyric acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C(=CC1=CC=CC=C1)CS

Isomeric SMILES

CC(CC(=O)O)NC(=O)/C(=C\C1=CC=CC=C1)/CS

InChI

InChI=1S/C14H17NO3S/c1-10(7-13(16)17)15-14(18)12(9-19)8-11-5-3-2-4-6-11/h2-6,8,10,19H,7,9H2,1H3,(H,15,18)(H,16,17)/b12-8-