2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylsulfanyl-isoindole-1,3-dione

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylsulfanyl-isoindole-1,3-dione Openeye Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylsulfanyl-isoindoline-1,3-dione CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-5-(phenylthio)isoindole-1,3-dione IUPAC Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylsulfanylisoindole-1,3-dione Traditional Name: 2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-5-(phenylthio)isoindoline-1,3-quinone Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)SC4=CC=CC=C4)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)SC4=CC=CC=C4)OCCN5CCCC5

InChI

InChI=1S/C27H26N2O4S/c1-32-25-17-19(9-12-24(25)33-16-15-28-13-5-6-14-28)29-26(30)22-11-10-21(18-23(22)27(29)31)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3