6-[2-(4-methylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-methylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(p-tolylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-methylphenyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-methylphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(p-tolylthio)propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H17NO3S/c1-11-3-6-14(7-4-11)23-12(2)18(21)13-5-8-16-15(9-13)19-17(20)10-22-16/h3-9,12H,10H2,1-2H3,(H,19,20)