methyl 4-[5-chloranyl-2-[(2-methylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[5-chloranyl-2-[(2-methylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[5-chloro-2-[[(2-methylsulfanylacetyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[5-chloro-2-[[[2-(methylthio)-1-oxoethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-chloro-2-[[(2-methylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[5-chloro-2-[[[2-(methylthio)acetyl]amino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC)Cl

InChI

InChI=1S/C20H20ClNO4S/c1-25-20(24)13-5-3-12(4-6-13)17-9-15(21)7-14-8-16(26-19(14)17)10-22-18(23)11-27-2/h3-7,9,16H,8,10-11H2,1-2H3,(H,22,23)