methyl (2S)-2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(6-chloro-2-keto-1,3-benzoxazol-3-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1C2=C(C=C(C=C2)Cl)OC1=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CN1C2=C(C=C(C=C2)Cl)OC1=O

InChI

InChI=1S/C16H19ClN2O5/c1-9(2)6-11(15(21)23-3)18-14(20)8-19-12-5-4-10(17)7-13(12)24-16(19)22/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,20)/t11-/m0/s1