2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]ethanamide

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]acetamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)CSCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H22N2O5S/c1-12(24)14-4-6-18(27-3)15(8-14)10-29-11-20(25)22-16-5-7-19-17(9-16)23-21(26)13(2)28-19/h4-9,13H,10-11H2,1-3H3,(H,22,25)(H,23,26)/t13-/m0/s1