2-[2-(7-bromanyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid

Systemtic Name: 2-[2-(7-bromanyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Openeye Name: 2-[2-(7-bromo-4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoic acid CAS Name: 2-[2-(7-bromo-4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid IUPAC Name: 2-[2-(7-bromo-4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Traditional Name: 2-[2-(7-bromo-4-keto-1,3-benzothiazin-2-yl)-4-pyridyl]propionic acid Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C1=CC(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H11BrN2O3S/c1-8(16(21)22)9-4-5-18-12(6-9)15-19-14(20)11-3-2-10(17)7-13(11)23-15/h2-8H,1H3,(H,21,22)