3-(1H-imidazol-5-yl)-2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanyl-2-thienylidene)-2-phenyl-acetyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(2E)-2-(3-mercapto-5-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[(2E)-2-(5-keto-3-mercapto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]propionic acid Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)O)SC2=O)S

Isomeric SMILES

C1=CC=C(C=C1)C2=C(/C(=C(/C3=CC=CC=C3)\C(=O)NC(CC4=CN=CN4)C(=O)O)/SC2=O)S

InChI

InChI=1S/C24H19N3O4S2/c28-22(27-17(23(29)30)11-16-12-25-13-26-16)19(15-9-5-2-6-10-15)21-20(32)18(24(31)33-21)14-7-3-1-4-8-14/h1-10,12-13,17,32H,11H2,(H,25,26)(H,27,28)(H,29,30)/b21-19+