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

Systemtic Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[4-(4-tert-butylphenyl)-3-carbethoxy-5-methyl-2-thienyl]amino]-5-keto-valeric acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29NO5S/c1-6-29-22(28)20-19(15-10-12-16(13-11-15)23(3,4)5)14(2)30-21(20)24-17(25)8-7-9-18(26)27/h10-13H,6-9H2,1-5H3,(H,24,25)(H,26,27)