4-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[[3-carbethoxy-4-(4-cyclohexylphenyl)-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C=CC(=O)O

InChI

InChI=1S/C23H25NO5S/c1-2-29-23(28)21-18(14-30-22(21)24-19(25)12-13-20(26)27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,2-7H2,1H3,(H,24,25)(H,26,27)