ethyl 3-[2-[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[3-cyano-6-(2-furyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[3-cyano-6-(2-furanyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-cyano-6-(2-furyl)-2-pyridyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CO3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CO3)C#N

InChI

InChI=1S/C21H17N3O4S/c1-2-27-21(26)14-5-3-6-16(11-14)23-19(25)13-29-20-15(12-22)8-9-17(24-20)18-7-4-10-28-18/h3-11H,2,13H2,1H3,(H,23,25)