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

Systemtic Name: 7-bromanyl-3-oxidanylidene-2-propan-2-yl-4-(2-thiophen-2-ylethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-3-oxo-4-[2-(2-thienyl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-2-propan-2-yl-4-(2-thiophen-2-ylethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-3-oxo-2-propan-2-yl-4-(2-thiophen-2-ylethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-[2-(2-thienyl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C19H20BrNO4S MolecularWeight: 438.3354

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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)CCC3=CC=CS3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CCC3=CC=CS3

InChI

InChI=1S/C19H20BrNO4S/c1-11(2)17-18(22)21(8-7-13-4-3-9-26-13)16(19(23)24)14-10-12(20)5-6-15(14)25-17/h3-6,9-11,16-17H,7-8H2,1-2H3,(H,23,24)