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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H14ClNO4 MolecularWeight: 307.72896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4/c1-3-6-17-14(18)9(2)20-15(19)13-8-10-7-11(16)4-5-12(10)21-13/h3-5,7-9H,1,6H2,2H3,(H,17,18)/t9-/m0/s1