4-[1,5-dimethyl-2-(3-oxidanylidene-4H-1,2-benzothiazin-2-yl)cyclohexa-2,4-dien-1-yl]oxybutanoic acid

Systemtic Name: 4-[1,5-dimethyl-2-(3-oxidanylidene-4H-1,2-benzothiazin-2-yl)cyclohexa-2,4-dien-1-yl]oxybutanoic acid Openeye Name: 4-[1,5-dimethyl-2-(3-oxo-4H-1,2-benzothiazin-2-yl)cyclohexa-2,4-dien-1-yl]oxybutanoic acid CAS Name: 4-[[1,5-dimethyl-2-(3-oxo-4H-1,2-benzothiazin-2-yl)-1-cyclohexa-2,4-dienyl]oxy]butanoic acid IUPAC Name: 4-[1,5-dimethyl-2-(3-oxo-4H-1,2-benzothiazin-2-yl)cyclohexa-2,4-dien-1-yl]oxybutanoic acid Traditional Name: 4-[2-(3-keto-4H-1,2-benzothiazin-2-yl)-1,5-dimethyl-cyclohexa-2,4-dien-1-yl]oxybutyric acid Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1)(C)OCCCC(=O)O)N2C(=O)CC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C(C1)(C)OCCCC(=O)O)N2C(=O)CC3=CC=CC=C3S2

InChI

InChI=1S/C20H23NO4S/c1-14-9-10-17(20(2,13-14)25-11-5-8-19(23)24)21-18(22)12-15-6-3-4-7-16(15)26-21/h3-4,6-7,9-10H,5,8,11-13H2,1-2H3,(H,23,24)