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

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidene-1,4-benzoxazin-3-yl)propanoate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-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-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-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-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)CCC2=NC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H20N2O5/c1-13-7-3-4-8-15(13)23-20(25)14(2)27-19(24)12-11-17-21(26)28-18-10-6-5-9-16(18)22-17/h3-10,14H,11-12H2,1-2H3,(H,23,25)/t14-/m0/s1