(1R)-1-[[5-(2,1,3-benzothiadiazol-5-ylmethylcarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

Systemtic Name: (1R)-1-[[5-(2,1,3-benzothiadiazol-5-ylmethylcarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid Openeye Name: (1R)-1-[[5-(2,1,3-benzothiadiazol-5-ylmethylcarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-indane-5-carboxylic acid CAS Name: (1R)-1-[[[5-[(2,1,3-benzothiadiazol-5-ylmethylamino)-oxomethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-oxomethyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid IUPAC Name: (1R)-1-[[5-(2,1,3-benzothiadiazol-5-ylmethylcarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid Traditional Name: (1R)-4-methyl-1-[[5-(piazthiol-5-ylmethylcarbamoyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino]indane-5-carboxylic acid Formula: C25H20N8O4S MolecularWeight: 528.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CCC2NC(=O)C3=CC(=NC4=NC=NN34)C(=O)NCC5=CC6=NSN=C6C=C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1CC[C@H]2NC(=O)C3=CC(=NC4=NC=NN34)C(=O)NCC5=CC6=NSN=C6C=C5)C(=O)O

InChI

InChI=1S/C25H20N8O4S/c1-12-14-5-7-17(16(14)4-3-15(12)24(36)37)29-23(35)21-9-20(30-25-27-11-28-33(21)25)22(34)26-10-13-2-6-18-19(8-13)32-38-31-18/h2-4,6,8-9,11,17H,5,7,10H2,1H3,(H,26,34)(H,29,35)(H,36,37)/t17-/m1/s1