2-[2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C20H14N3O3S2- MolecularWeight: 408.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H15N3O3S2/c21-10-15-14(13-5-2-1-3-6-13)9-16(17-7-4-8-27-17)23-20(15)28-12-18(24)22-11-19(25)26/h1-9H,11-12H2,(H,22,24)(H,25,26)/p-1