2-[4-chloranyl-3-(1-methylsulfanylethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-chloranyl-3-(1-methylsulfanylethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-chloro-3-(1-methylsulfanylethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-chloro-3-[1-(methylthio)ethoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-chloro-3-(1-methylsulfanylethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-chloro-3-[1-(methylthio)ethoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C17H18ClNO3S MolecularWeight: 351.84772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)SC

Isomeric SMILES

CC(OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)SC

InChI

InChI=1S/C17H18ClNO3S/c1-10(23-2)22-15-9-11(7-8-14(15)18)19-16(20)12-5-3-4-6-13(12)17(19)21/h7-10H,3-6H2,1-2H3