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

Systemtic Name: 5-[[2-[2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-yl]carbonyl-1-benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid Openeye Name: 5-[[2-[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[[4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-1-benzothiophen-7-yl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-benzothiophen-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-(4-hydroxy-2-methylol-pyrrolidine-1-carbonyl)benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=CC=CC4=C3SC(=C4)C(=O)N5CC(CC5CO)O

Isomeric SMILES

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=CC=CC4=C3SC(=C4)C(=O)N5CC(CC5CO)O

InChI

InChI=1S/C24H23N3O5S/c1-13-7-15-8-16(5-6-20(15)27(13)24(31)32)25-19-4-2-3-14-9-21(33-22(14)19)23(30)26-11-18(29)10-17(26)12-28/h2-9,17-18,25,28-29H,10-12H2,1H3,(H,31,32)