2-[[5-chloranyl-3,6-bis(2-ethoxyethoxy)-2,3-dihydro-1H-isoindol-4-yl]sulfanyl]aniline

Systemtic Name: 2-[[5-chloranyl-3,6-bis(2-ethoxyethoxy)-2,3-dihydro-1H-isoindol-4-yl]sulfanyl]aniline Openeye Name: 2-[5-chloro-3,6-bis(2-ethoxyethoxy)isoindolin-4-yl]sulfanylaniline CAS Name: 2-[[5-chloro-3,6-bis(2-ethoxyethoxy)-2,3-dihydro-1H-isoindol-4-yl]thio]aniline IUPAC Name: 2-[[5-chloro-3,6-bis(2-ethoxyethoxy)-2,3-dihydro-1H-isoindol-4-yl]sulfanyl]aniline Traditional Name: [2-[[5-chloro-3,6-bis(2-ethoxyethoxy)isoindolin-4-yl]thio]phenyl]amine Formula: C22H29ClN2O4S MolecularWeight: 452.99466

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1C2=C(C(=C(C=C2CN1)OCCOCC)Cl)SC3=CC=CC=C3N

Isomeric SMILES

CCOCCOC1C2=C(C(=C(C=C2CN1)OCCOCC)Cl)SC3=CC=CC=C3N

InChI

InChI=1S/C22H29ClN2O4S/c1-3-26-9-11-28-17-13-15-14-25-22(29-12-10-27-4-2)19(15)21(20(17)23)30-18-8-6-5-7-16(18)24/h5-8,13,22,25H,3-4,9-12,14,24H2,1-2H3