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

Systemtic Name: 5-[2-(3-chloranylpropoxy)-5-methoxy-phenyl]-2-methoxy-4-methyl-1,4-benzothiazin-3-one Openeye Name: 5-[2-(3-chloropropoxy)-5-methoxy-phenyl]-2-methoxy-4-methyl-1,4-benzothiazin-3-one CAS Name: 5-[2-(3-chloropropoxy)-5-methoxyphenyl]-2-methoxy-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 5-[2-(3-chloropropoxy)-5-methoxyphenyl]-2-methoxy-4-methyl-1,4-benzothiazin-3-one Traditional Name: 5-[2-(3-chloropropoxy)-5-methoxy-phenyl]-2-methoxy-4-methyl-1,4-benzothiazin-3-one Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-22-18-14(6-4-7-17(18)27-20(25-3)19(22)23)15-12-13(24-2)8-9-16(15)26-11-5-10-21/h4,6-9,12,20H,5,10-11H2,1-3H3