4-[2-[[1-(4-bromophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[[1-(4-bromophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[[1-[(4-bromophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]methyl]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]methyl]thiazol-4-yl]benzoic acid Formula: C28H21BrN2O4S MolecularWeight: 561.44634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4=NC(=CS4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CC4=NC(=CS4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H21BrN2O4S/c1-16-22(14-26-30-24(15-36-26)17-3-5-19(6-4-17)28(33)34)23-13-21(35-2)11-12-25(23)31(16)27(32)18-7-9-20(29)10-8-18/h3-13,15H,14H2,1-2H3,(H,33,34)