5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[4-(4-tert-butylphenyl)-3-carbethoxy-2-thienyl]amino]-5-keto-valeric acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)NC(=O)CCCC(=O)O

InChI

InChI=1S/C22H27NO5S/c1-5-28-21(27)19-16(14-9-11-15(12-10-14)22(2,3)4)13-29-20(19)23-17(24)7-6-8-18(25)26/h9-13H,5-8H2,1-4H3,(H,23,24)(H,25,26)