3,4-bis[1-[1-(1-hydroxyethylsulfanyl)ethyl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3,4-bis[1-[1-(1-hydroxyethylsulfanyl)ethyl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3,4-bis[1-[1-(1-hydroxyethylsulfanyl)ethyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3,4-bis[1-[1-(1-hydroxyethylthio)ethyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3,4-bis[1-[1-(1-hydroxyethylsulfanyl)ethyl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3,4-bis[1-[1-(1-hydroxyethylthio)ethyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(C)SC(C)O)SC(C)O

Isomeric SMILES

CC(N1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C(C)SC(C)O)SC(C)O

InChI

InChI=1S/C28H29N3O4S2/c1-15(36-17(3)32)30-13-21(19-9-5-7-11-23(19)30)25-26(28(35)29-27(25)34)22-14-31(16(2)37-18(4)33)24-12-8-6-10-20(22)24/h5-18,32-33H,1-4H3,(H,29,34,35)