2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C15H17ClN2O2S/c1-17(8-10-6-7-13(16)21-10)9-18-14(19)11-4-2-3-5-12(11)15(18)20/h2-3,6-7,11-12H,4-5,8-9H2,1H3