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

Systemtic Name: 4-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[[4-(4-tert-butylphenyl)-3-carbethoxy-5-methyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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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)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-6-28-21(27)19-18(14-7-9-15(10-8-14)22(3,4)5)13(2)29-20(19)23-16(24)11-12-17(25)26/h7-12H,6H2,1-5H3,(H,23,24)(H,25,26)