5-[2-(3-chloranylpropoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one

Systemtic Name: 5-[2-(3-chloranylpropoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Openeye Name: 5-[2-(3-chloropropoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one CAS Name: 5-[2-(3-chloropropoxy)-5-methoxyphenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one IUPAC Name: 5-[2-(3-chloropropoxy)-5-methoxyphenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Traditional Name: 5-[2-(3-chloropropoxy)-5-methoxy-phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one Formula: C20H22ClNO3S2 MolecularWeight: 423.97658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(SC2=CC=CC(=C21)C3=C(C=CC(=C3)OC)OCCCCl)SC

Isomeric SMILES

CN1C(=O)C(SC2=CC=CC(=C21)C3=C(C=CC(=C3)OC)OCCCCl)SC

InChI

InChI=1S/C20H22ClNO3S2/c1-22-18-14(6-4-7-17(18)27-20(26-3)19(22)23)15-12-13(24-2)8-9-16(15)25-11-5-10-21/h4,6-9,12,20H,5,10-11H2,1-3H3