2-methyl-5-[[2-(3-oxidanylpyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxylic acid

Systemtic Name: 2-methyl-5-[[2-(3-oxidanylpyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxylic acid Openeye Name: 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[(3-hydroxy-1-pyrrolidinyl)-oxomethyl]-7-thieno[3,2-b]pyridinyl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC(C5)O

Isomeric SMILES

CC1=CC2=C(N1C(=O)O)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCC(C5)O

InChI

InChI=1S/C22H20N4O4S/c1-12-8-13-9-14(2-3-18(13)26(12)22(29)30)24-16-4-6-23-17-10-19(31-20(16)17)21(28)25-7-5-15(27)11-25/h2-4,6,8-10,15,27H,5,7,11H2,1H3,(H,23,24)(H,29,30)