2-[(2-methanethioyl-3-phenyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(2-methanethioyl-3-phenyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(2-benzyl-3-thioxo-propanoyl)amino]acetic acid CAS Name: 2-[(2-methanethioyl-1-oxo-3-phenylpropyl)amino]acetic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylidenepropanoyl)amino]acetic acid Traditional Name: 2-[(2-benzyl-3-thioxo-propanoyl)amino]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=S)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C=S)C(=O)NCC(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,16)(H,14,15)