(3-chlorophenyl) 5-(4-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl)-4-oxidanyl-3-phenylselanyl-pentanoate

Systemtic Name: (3-chlorophenyl) 5-(4-methyl-3-oxidanylidene-1,4-benzothiazin-2-yl)-4-oxidanyl-3-phenylselanyl-pentanoate Openeye Name: (3-chlorophenyl) 4-hydroxy-5-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-3-phenylselanyl-pentanoate CAS Name: 4-hydroxy-5-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-3-(phenylseleno)pentanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-hydroxy-5-(4-methyl-3-oxo-1,4-benzothiazin-2-yl)-3-phenylselanylpentanoate Traditional Name: 4-hydroxy-5-(3-keto-4-methyl-1,4-benzothiazin-2-yl)-3-(phenylseleno)valeric acid (3-chlorophenyl) ester Formula: C26H24ClNO4SSe MolecularWeight: 560.95106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC(C1=O)CC(C(CC(=O)OC3=CC(=CC=C3)Cl)[Se]C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=CC=CC=C2SC(C1=O)CC(C(CC(=O)OC3=CC(=CC=C3)Cl)[Se]C4=CC=CC=C4)O

InChI

InChI=1S/C26H24ClNO4SSe/c1-28-20-12-5-6-13-22(20)33-23(26(28)31)15-21(29)24(34-19-10-3-2-4-11-19)16-25(30)32-18-9-7-8-17(27)14-18/h2-14,21,23-24,29H,15-16H2,1H3