4-[[4-(4-tert-butylphenyl)-3-propoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-tert-butylphenyl)-3-propoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-tert-butylphenyl)-3-propoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-tert-butylphenyl)-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-tert-butylphenyl)-3-propoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-tert-butylphenyl)-3-propoxycarbonyl-2-thienyl]amino]-4-keto-butyric acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H27NO5S/c1-5-12-28-21(27)19-16(14-6-8-15(9-7-14)22(2,3)4)13-29-20(19)23-17(24)10-11-18(25)26/h6-9,13H,5,10-12H2,1-4H3,(H,23,24)(H,25,26)