[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C16H18ClNO4/c1-9(14(19)18-16(2,3)4)21-15(20)13-8-10-7-11(17)5-6-12(10)22-13/h5-9H,1-4H3,(H,18,19)/t9-/m0/s1