7-bromanyl-4-(2-methylsulfanylethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-4-(2-methylsulfanylethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-4-(2-methylsulfanylethyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[2-(methylthio)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-(2-methylsulfanylethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-[2-(methylthio)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C16H20BrNO4S MolecularWeight: 402.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CCSC

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CCSC

InChI

InChI=1S/C16H20BrNO4S/c1-9(2)14-15(19)18(6-7-23-3)13(16(20)21)11-8-10(17)4-5-12(11)22-14/h4-5,8-9,13-14H,6-7H2,1-3H3,(H,20,21)