2-[2-(3-ethoxy-5-ethylsulfanyl-4-methoxy-phenyl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-ethoxy-5-ethylsulfanyl-4-methoxy-phenyl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-ethoxy-5-ethylsulfanyl-4-methoxy-phenyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[3-ethoxy-5-(ethylthio)-4-methoxyphenyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-ethoxy-5-ethylsulfanyl-4-methoxyphenyl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[3-ethoxy-5-(ethylthio)-4-methoxy-phenyl]ethyl]isoindoline-1,3-quinone Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCN2C(=O)C3=CC=CC=C3C2=O)SCC)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCN2C(=O)C3=CC=CC=C3C2=O)SCC)OC

InChI

InChI=1S/C21H23NO4S/c1-4-26-17-12-14(13-18(27-5-2)19(17)25-3)10-11-22-20(23)15-8-6-7-9-16(15)21(22)24/h6-9,12-13H,4-5,10-11H2,1-3H3