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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C17H13ClN2O3S/c1-9-6-10(2-5-15(21)22)7-13(19-9)17-20-16(23)12-4-3-11(18)8-14(12)24-17/h3-4,6-8H,2,5H2,1H3,(H,21,22)