2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanyl-2-thienylidene)-2-phenyl-acetyl]amino]propanoic acid CAS Name: 2-[[(2E)-2-(3-mercapto-5-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]propanoic acid Traditional Name: 2-[[(2E)-2-(5-keto-3-mercapto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]propionic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(=C1C(=C(C(=O)S1)C2=CC=CC=C2)S)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)NC(=O)/C(=C/1\C(=C(C(=O)S1)C2=CC=CC=C2)S)/C3=CC=CC=C3

InChI

InChI=1S/C21H17NO4S2/c1-12(20(24)25)22-19(23)16(14-10-6-3-7-11-14)18-17(27)15(21(26)28-18)13-8-4-2-5-9-13/h2-12,27H,1H3,(H,22,23)(H,24,25)/b18-16+