methyl 4-chloranyl-3-(3-pyridin-2-ylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-(3-pyridin-2-ylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate Openeye Name: methyl 4-chloro-3-[3-(2-pyridylsulfanyl)propanoylamino]benzofuran-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-pyridin-2-ylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 4-chloro-3-[3-(2-pyridylthio)propanoylamino]coumarilic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(O1)C=CC=C2Cl)NC(=O)CCSC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C2=C(O1)C=CC=C2Cl)NC(=O)CCSC3=CC=CC=N3

InChI

InChI=1S/C18H15ClN2O4S/c1-24-18(23)17-16(15-11(19)5-4-6-12(15)25-17)21-13(22)8-10-26-14-7-2-3-9-20-14/h2-7,9H,8,10H2,1H3,(H,21,22)