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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCCN1C2=CC=CC=C2OC1=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCCN1C2=CC=CC=C2OC1=O

InChI

InChI=1S/C17H22N2O5S/c1-23-16(21)12(9-11-25-2)18-15(20)8-5-10-19-13-6-3-4-7-14(13)24-17(19)22/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,20)/t12-/m0/s1