2-[6-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methyl-pyridin-2-yl]propanoic acid

Systemtic Name: 2-[6-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methyl-pyridin-2-yl]propanoic acid Openeye Name: 2-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-methyl-2-pyridyl]propanoic acid CAS Name: 2-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-methyl-2-pyridinyl]propanoic acid IUPAC Name: 2-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-methylpyridin-2-yl]propanoic acid Traditional Name: 2-[6-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-4-methyl-2-pyridyl]propionic acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)C(C)C(=O)O)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=C1)C(C)C(=O)O)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-8-5-12(9(2)17(22)23)19-13(6-8)16-20-15(21)11-4-3-10(18)7-14(11)24-16/h3-7,9H,1-2H3,(H,22,23)