4-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-cyclohexylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbomethoxy-4-(4-cyclohexylphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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