1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfanylphenyl)amino]pyrrolidine-2,5-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfanylphenyl)amino]pyrrolidine-2,5-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(methylthio)anilino]pyrrolidine-2,5-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione Traditional Name: 1-homoveratryl-3-[4-(methylthio)anilino]pyrrolidine-2,5-quinone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)NC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H24N2O4S/c1-26-18-9-4-14(12-19(18)27-2)10-11-23-20(24)13-17(21(23)25)22-15-5-7-16(28-3)8-6-15/h4-9,12,17,22H,10-11,13H2,1-3H3