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

Systemtic Name: 2-[2-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[4-(4-cyclohexylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-carbomethoxy-4-(4-cyclohexylphenyl)-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S2/c1-28-22(27)20-17(11-30-21(20)23-18(24)12-29-13-19(25)26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-11,14H,2-6,12-13H2,1H3,(H,23,24)(H,25,26)