2-[2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)NCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)NCC(=O)O

InChI

InChI=1S/C20H14ClN3O3S2/c21-13-5-3-12(4-6-13)14-8-16(17-2-1-7-28-17)24-20(15(14)9-22)29-11-18(25)23-10-19(26)27/h1-8H,10-11H2,(H,23,25)(H,26,27)