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

Systemtic Name: 5-[[2-[2-(hydroxymethyl)-4-methoxy-pyrrolidin-1-yl]carbonyl-1-benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid Openeye Name: 5-[[2-[2-(hydroxymethyl)-4-methoxy-pyrrolidine-1-carbonyl]benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[[2-(hydroxymethyl)-4-methoxy-1-pyrrolidinyl]-oxomethyl]-1-benzothiophen-7-yl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-[2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]-1-benzothiophen-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-(4-methoxy-2-methylol-pyrrolidine-1-carbonyl)benzothiophen-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5S/c1-14-8-16-9-17(6-7-21(16)28(14)25(31)32)26-20-5-3-4-15-10-22(34-23(15)20)24(30)27-12-19(33-2)11-18(27)13-29/h3-10,18-19,26,29H,11-13H2,1-2H3,(H,31,32)