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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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