[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O4/c1-13(18(24)21-10-16-6-4-8-26-16)27-19(25)15-9-22-23(12-15)11-14-5-2-3-7-17(14)20/h2-9,12-13H,10-11H2,1H3,(H,21,24)/t13-/m0/s1