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

Systemtic Name: 2-[4-chloranyl-3-(methylsulfanylmethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-chloro-3-(methylsulfanylmethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-chloro-3-[(methylthio)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-chloro-3-(methylsulfanylmethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-chloro-3-[(methylthio)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CSCOC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl

Isomeric SMILES

CSCOC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl

InChI

InChI=1S/C16H16ClNO3S/c1-22-9-21-14-8-10(6-7-13(14)17)18-15(19)11-4-2-3-5-12(11)16(18)20/h6-8H,2-5,9H2,1H3