2-(2-diethylaminoethyl)-5-methyl-9-oxidanyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione

Systemtic Name: 2-(2-diethylaminoethyl)-5-methyl-9-oxidanyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione Openeye Name: 2-(2-diethylaminoethyl)-9-hydroxy-5-methyl-benzothiopheno[3,2-e]isoindole-1,3-dione CAS Name: 2-(2-diethylaminoethyl)-9-hydroxy-5-methyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione IUPAC Name: 2-(2-diethylaminoethyl)-9-hydroxy-5-methyl-[1]benzothiolo[3,2-e]isoindole-1,3-dione Traditional Name: 2-(2-diethylaminoethyl)-9-hydroxy-5-methyl-benzothiophen[3,2-e]isoindole-1,3-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC(=C3C(=C2C1=O)C4=C(S3)C=CC(=C4)O)C

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC(=C3C(=C2C1=O)C4=C(S3)C=CC(=C4)O)C

InChI

InChI=1S/C21H22N2O3S/c1-4-22(5-2)8-9-23-20(25)15-10-12(3)19-17(18(15)21(23)26)14-11-13(24)6-7-16(14)27-19/h6-7,10-11,24H,4-5,8-9H2,1-3H3