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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-4-9(2)14(15(21)23-3)18-13(20)8-19-11-6-5-10(17)7-12(11)24-16(19)22/h5-7,9,14H,4,8H2,1-3H3,(H,18,20)/t9-,14+/m0/s1