[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C21H20ClNO5S/c1-12(20(24)23-16-10-13(22)8-9-18(16)26-2)27-21(25)19-15(11-29-3)14-6-4-5-7-17(14)28-19/h4-10,12H,11H2,1-3H3,(H,23,24)/t12-/m1/s1