2-[[7-chloranyl-4-(2-methylsulfanylethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-chloranyl-4-(2-methylsulfanylethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-chloro-2-isopropyl-4-(2-methylsulfanylethyl)-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-chloro-4-[2-(methylthio)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-chloro-4-(2-methylsulfanylethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-chloro-2-isopropyl-3-keto-4-[2-(methylthio)ethyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CCSC

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CCSC

InChI

InChI=1S/C18H23ClN2O5S/c1-10(2)16-18(25)21(6-7-27-3)15(17(24)20-9-14(22)23)12-8-11(19)4-5-13(12)26-16/h4-5,8,10,15-16H,6-7,9H2,1-3H3,(H,20,24)(H,22,23)