2-(2-oxidanylidenepropanethioylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-oxidanylidenepropanethioylamino)-3-phenyl-propanoic acid Openeye Name: 2-(2-oxopropanethioylamino)-3-phenyl-propanoic acid CAS Name: 2-[(2-oxo-1-sulfanylidenepropyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(2-oxopropanethioylamino)-3-phenylpropanoic acid Traditional Name: 2-(2-ketopropanethioylamino)-3-phenyl-propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-8(14)11(17)13-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,17)(H,15,16)