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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCN1C2=CC=CC=C2OC1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C16H20N2O5S/c1-22-15(20)11(8-10-24-2)17-14(19)7-9-18-12-5-3-4-6-13(12)23-16(18)21/h3-6,11H,7-10H2,1-2H3,(H,17,19)/t11-/m0/s1