2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-(2-thienyl)pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-thiophen-2-yl-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-4-oxo-2-thiophen-2-ylpyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-tert-butylbenzyl)-6-hydroxy-4-keto-2-(2-thienyl)pyrimidine-5-carbonyl]amino]acetic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CS3)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CS3)C(=O)NCC(=O)O)O

InChI

InChI=1S/C22H23N3O5S/c1-22(2,3)14-8-6-13(7-9-14)12-25-18(15-5-4-10-31-15)24-20(29)17(21(25)30)19(28)23-11-16(26)27/h4-10,30H,11-12H2,1-3H3,(H,23,28)(H,26,27)