methyl (2S)-2-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

InChI

InChI=1S/C16H19ClN2O5S/c1-23-15(21)11(6-8-25-2)18-14(20)5-7-19-12-4-3-10(17)9-13(12)24-16(19)22/h3-4,9,11H,5-8H2,1-2H3,(H,18,20)/t11-/m0/s1