3-(phenylmethylsulfanyl)-2-(prop-2-enoylamino)propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-(prop-2-enoylamino)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic acid CAS Name: 2-(1-oxoprop-2-enylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(prop-2-enoylamino)propanoic acid Traditional Name: 2-acrylamido-3-(benzylthio)propionic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C=CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-2-12(15)14-11(13(16)17)9-18-8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,15)(H,16,17)