methyl (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-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)CN1C(=O)CCOC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)CCOC2=CC=CC=C21

InChI

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