[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,4-benzoxazin-3-yl)propanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,4-benzoxazin-3-yl)propanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-oxo-1,4-benzoxazin-3-yl)propanoate CAS Name: 3-(2-oxo-1,4-benzoxazin-3-yl)propanoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,4-benzoxazin-3-yl)propanoate Traditional Name: 3-(2-keto-1,4-benzoxazin-3-yl)propionic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3OC2=O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H17N3O5/c1-13(20(26)23-15-6-4-5-14(11-15)12-22)28-19(25)10-9-17-21(27)29-18-8-3-2-7-16(18)24-17/h2-8,11,13H,9-10H2,1H3,(H,23,26)/t13-/m0/s1