1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-quinone Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C21H20N2O3S2/c1-4-26-15-7-8-16-17(10-15)27-21(22-16)28-18-11-19(24)23(20(18)25)14-6-5-12(2)13(3)9-14/h5-10,18H,4,11H2,1-3H3