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

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O5/c1-7(12(18)17-14(20)16-2)21-13(19)11-6-8-5-9(15)3-4-10(8)22-11/h3-7H,1-2H3,(H2,16,17,18,20)/t7-/m0/s1