5,7-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one

Systemtic Name: 5,7-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 5,7-dimethyl-6-[4-(p-tolylsulfanyl)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 5,7-dimethyl-6-[4-[(4-methylphenyl)thio]butoxy]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 5,7-dimethyl-6-[4-(4-methylphenyl)sulfanylbutoxy]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 5,7-dimethyl-6-[4-(p-tolylthio)butoxy]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C3=C(C=C2C)NC(=O)OC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C3=C(C=C2C)NC(=O)OC3)C

InChI

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