3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O3S/c1-2-26-14-7-5-6-13(10-14)23-19(24)11-17(20(23)25)27-12-18-21-15-8-3-4-9-16(15)22-18/h3-10,17H,2,11-12H2,1H3,(H,21,22)