[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4/c1-4-7-18-15(19)10(3)21-16(20)14-9(2)12-8-11(17)5-6-13(12)22-14/h5-6,8,10H,4,7H2,1-3H3,(H,18,19)/t10-/m0/s1