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

Systemtic Name: 4-methylsulfanyl-2-[[(2E)-2-(5-oxidanylidene-4-phenyl-3-sulfanyl-thiophen-2-ylidene)-2-phenyl-ethanoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanyl-2-thienylidene)-2-phenyl-acetyl]amino]butanoic acid CAS Name: 2-[[(2E)-2-(3-mercapto-5-oxo-4-phenyl-2-thiophenylidene)-1-oxo-2-phenylethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(2E)-2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]butanoic acid Traditional Name: 2-[[(2E)-2-(5-keto-3-mercapto-4-phenyl-2-thienylidene)-2-phenyl-acetyl]amino]-4-(methylthio)butyric acid Formula: C23H21NO4S3 MolecularWeight: 471.61214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCCC(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/C23H21NO4S3/c1-30-13-12-16(22(26)27)24-21(25)18(15-10-6-3-7-11-15)20-19(29)17(23(28)31-20)14-8-4-2-5-9-14/h2-11,16,29H,12-13H2,1H3,(H,24,25)(H,26,27)/b20-18+