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

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 1-(2-bromo-4-methyl-phenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione CAS Name: 1-(2-bromo-4-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(2-bromo-4-methylphenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione Traditional Name: 1-(2-bromo-4-methyl-phenyl)-3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]pyrrolidine-2,5-quinone Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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=C(C=C(C=C4)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S2/c1-3-26-12-5-6-14-16(9-12)27-20(22-14)28-17-10-18(24)23(19(17)25)15-7-4-11(2)8-13(15)21/h4-9,17H,3,10H2,1-2H3