2-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]-4-methyl-pentanoic acid Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]-4-methyl-pentanoic acid CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]-4-methylpentanoic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]-4-methylpentanoic acid Traditional Name: 2-(3-keto-2-p-anisyl-1,4-benzothiazin-4-yl)-4-methyl-valeric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C2=CC=CC=C2SC(C1=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N1C2=CC=CC=C2SC(C1=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25NO4S/c1-14(2)12-18(22(25)26)23-17-6-4-5-7-19(17)28-20(21(23)24)13-15-8-10-16(27-3)11-9-15/h4-11,14,18,20H,12-13H2,1-3H3,(H,25,26)