4-[[1-[(3,4-dimethoxyphenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione

Systemtic Name: 4-[[1-[(3,4-dimethoxyphenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione Openeye Name: 4-[[1-[(3,4-dimethoxyphenyl)methyl]indol-4-yl]methyl]thiazolidine-2,5-dione CAS Name: 4-[[1-[(3,4-dimethoxyphenyl)methyl]-4-indolyl]methyl]thiazolidine-2,5-dione IUPAC Name: 4-[[1-[(3,4-dimethoxyphenyl)methyl]indol-4-yl]methyl]-1,3-thiazolidine-2,5-dione Traditional Name: 4-[(1-veratrylindol-4-yl)methyl]thiazolidine-2,5-quinone Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=CC3=C(C=CC=C32)CC4C(=O)SC(=O)N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=CC3=C(C=CC=C32)CC4C(=O)SC(=O)N4)OC

InChI

InChI=1S/C21H20N2O4S/c1-26-18-7-6-13(10-19(18)27-2)12-23-9-8-15-14(4-3-5-17(15)23)11-16-20(24)28-21(25)22-16/h3-10,16H,11-12H2,1-2H3,(H,22,25)