[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC(C)C(=O)N(C)CCC#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O[C@H](C)C(=O)N(C)CCC#N

InChI

InChI=1S/C17H17ClN2O4/c1-10-13-9-12(18)5-6-14(13)24-15(10)17(22)23-11(2)16(21)20(3)8-4-7-19/h5-6,9,11H,4,8H2,1-3H3/t11-/m1/s1