5-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)-3H-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(1,3-thiazol-4-ylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)indoline-2-carboxylic acid CAS Name: 5-bromo-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(4-thiazolylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 5-bromo-1-(4-tert-butyl-3-methoxybenzoyl)-2-(1,3-thiazol-4-ylmethyl)-3H-indole-2-carboxylic acid Traditional Name: 5-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-2-(thiazol-4-ylmethyl)indoline-2-carboxylic acid Formula: C25H25BrN2O4S MolecularWeight: 529.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CSC=N4)C(=O)O)C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CSC=N4)C(=O)O)C=C(C=C3)Br)OC

InChI

InChI=1S/C25H25BrN2O4S/c1-24(2,3)19-7-5-15(10-21(19)32-4)22(29)28-20-8-6-17(26)9-16(20)11-25(28,23(30)31)12-18-13-33-14-27-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,31)