methyl (2S)-4-methylsulfanyl-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]amino]-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)CC1C(=O)NC2=CC=CC=C2O1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C[C@H]1C(=O)NC2=CC=CC=C2O1

InChI

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