2-[[5-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[5-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[5-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]-2-thiophenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[5-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[5-[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]thiophene-2-carbonyl]amino]glutaric acid Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCC3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H21N3O6S2/c26-18-12-16(13-4-2-1-3-5-13)24-22(25-18)32-11-10-14-6-8-17(33-14)20(29)23-15(21(30)31)7-9-19(27)28/h1-6,8,12,15H,7,9-11H2,(H,23,29)(H,27,28)(H,30,31)(H,24,25,26)