4-[[3-ethoxycarbonyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-ethoxycarbonyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-ethoxycarbonyl-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-ethoxycarbonyl-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-ethoxycarbonyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(3-carbethoxy-5-methyl-4-p-cumenyl-2-thienyl)amino]-4-keto-butyric acid Formula: C21H25NO5S MolecularWeight: 403.4919

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-5-27-21(26)19-18(15-8-6-14(7-9-15)12(2)3)13(4)28-20(19)22-16(23)10-11-17(24)25/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)(H,24,25)