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

Systemtic Name: 4,4-dimethyl-6-[4-(3-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[4-(m-tolylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-[(3-methylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-[4-(3-methylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(m-tolylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C

InChI

InChI=1S/C21H25NO3S/c1-15-7-6-8-17(13-15)26-12-5-4-11-24-16-9-10-19-18(14-16)21(2,3)25-20(23)22-19/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,23)