methyl (2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O5/c1-27-20(26)15(9-13-5-3-2-4-6-13)22-18(24)11-23-16-10-14(21)7-8-17(16)28-12-19(23)25/h2-8,10,15H,9,11-12H2,1H3,(H,22,24)/t15-/m0/s1