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

Systemtic Name: methyl 2-[2-[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[3-cyano-6-(2-furyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[3-cyano-6-(2-furanyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-cyano-6-(furan-2-yl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-cyano-6-(2-furyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=CC(=N2)C3=CC=CO3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=CC(=N2)C3=CC=CO3)C#N

InChI

InChI=1S/C20H15N3O4S/c1-26-20(25)14-5-2-3-6-15(14)22-18(24)12-28-19-13(11-21)8-9-16(23-19)17-7-4-10-27-17/h2-10H,12H2,1H3,(H,22,24)