2-methyl-5-[[2-[4-oxidanyl-2-(2-oxidanylpropan-2-yl)pyrrolidin-1-yl]carbonyl-1-benzothiophen-7-yl]amino]indole-1-carboxylic acid

Systemtic Name: 2-methyl-5-[[2-[4-oxidanyl-2-(2-oxidanylpropan-2-yl)pyrrolidin-1-yl]carbonyl-1-benzothiophen-7-yl]amino]indole-1-carboxylic acid Openeye Name: 5-[[2-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)pyrrolidine-1-carbonyl]benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[[4-hydroxy-2-(2-hydroxypropan-2-yl)-1-pyrrolidinyl]-oxomethyl]-1-benzothiophen-7-yl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-[4-hydroxy-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-1-benzothiophen-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)pyrrolidine-1-carbonyl]benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=CC=CC4=C3SC(=C4)C(=O)N5CC(CC5C(C)(C)O)O

Isomeric SMILES

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=CC=CC4=C3SC(=C4)C(=O)N5CC(CC5C(C)(C)O)O

InChI

InChI=1S/C26H27N3O5S/c1-14-9-16-10-17(7-8-20(16)29(14)25(32)33)27-19-6-4-5-15-11-21(35-23(15)19)24(31)28-13-18(30)12-22(28)26(2,3)34/h4-11,18,22,27,30,34H,12-13H2,1-3H3,(H,32,33)