3-[4-methoxy-2-(4-methyl-2-methylsulfanyl-3-oxidanylidene-1,4-benzothiazin-2-yl)phenoxy]propanal

Systemtic Name: 3-[4-methoxy-2-(4-methyl-2-methylsulfanyl-3-oxidanylidene-1,4-benzothiazin-2-yl)phenoxy]propanal Openeye Name: 3-[4-methoxy-2-(4-methyl-2-methylsulfanyl-3-oxo-1,4-benzothiazin-2-yl)phenoxy]propanal CAS Name: 3-[4-methoxy-2-[4-methyl-2-(methylthio)-3-oxo-1,4-benzothiazin-2-yl]phenoxy]propanal IUPAC Name: 3-[4-methoxy-2-(4-methyl-2-methylsulfanyl-3-oxo-1,4-benzothiazin-2-yl)phenoxy]propanal Traditional Name: 3-[2-[3-keto-4-methyl-2-(methylthio)-1,4-benzothiazin-2-yl]-4-methoxy-phenoxy]propionaldehyde Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC(C1=O)(C3=C(C=CC(=C3)OC)OCCC=O)SC

Isomeric SMILES

CN1C2=CC=CC=C2SC(C1=O)(C3=C(C=CC(=C3)OC)OCCC=O)SC

InChI

InChI=1S/C20H21NO4S2/c1-21-16-7-4-5-8-18(16)27-20(26-3,19(21)23)15-13-14(24-2)9-10-17(15)25-12-6-11-22/h4-5,7-11,13H,6,12H2,1-3H3