4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one

Systemtic Name: 4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one Openeye Name: 4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one CAS Name: 4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylthio]-6-methyl-1H-furo[3,4-c]pyridin-3-one IUPAC Name: 4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-6-methyl-1H-furo[3,4-c]pyridin-3-one Traditional Name: 4-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylthio]-6-methyl-1H-furo[3,4-c]pyridin-3-one Formula: C29H22N2O3S MolecularWeight: 478.56158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=C1)COC2=O)SCC3=NC4=CC=CC=C4C(O3)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC(=C2C(=C1)COC2=O)SCC3=NC4=CC=CC=C4C(O3)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H22N2O3S/c1-19-16-20-17-33-28(32)26(20)27(30-19)35-18-25-31-24-15-9-8-14-23(24)29(34-25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-16H,17-18H2,1H3