[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H15ClN2O4 MolecularWeight: 382.7971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H15ClN2O4/c1-12(19(24)23-17-5-3-2-4-13(17)10-22)27-20(25)15-8-14-9-16(21)6-7-18(14)26-11-15/h2-9,12H,11H2,1H3,(H,23,24)/t12-/m0/s1