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

Systemtic Name: 2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]butanedioic acid Openeye Name: 2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanyl-2-thienylidene)-2-phenyl-acetyl]amino]butanedioic acid CAS Name: 2-[[(2E)-2-(3-mercapto-5-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]butanedioic acid IUPAC Name: 2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]butanedioic acid Traditional Name: 2-[[(2E)-2-(5-keto-3-mercapto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]succinic acid Formula: C22H17NO6S2 MolecularWeight: 455.50348

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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(CC(=O)O)C(=O)O)SC2=O)S

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO6S2/c24-15(25)11-14(21(27)28)23-20(26)17(13-9-5-2-6-10-13)19-18(30)16(22(29)31-19)12-7-3-1-4-8-12/h1-10,14,30H,11H2,(H,23,26)(H,24,25)(H,27,28)/b19-17+