3-[(3,5-dimethylphenyl)methyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione CAS Name: 3-[(3,5-dimethylphenyl)methyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione Traditional Name: 3-(3,5-dimethylbenzyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2CC(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC)C

InChI

InChI=1S/C21H20N2O3S/c1-12-6-13(2)8-14(7-12)9-15-10-19(24)23(20(15)25)21-22-17-11-16(26-3)4-5-18(17)27-21/h4-8,11,15H,9-10H2,1-3H3