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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]-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)CCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCN1C(=O)COC2=CC=CC=C21

InChI

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