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

Systemtic Name: 5-[[2-(3-methoxypyrrolidin-1-yl)carbonylthieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid Openeye Name: 5-[[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid CAS Name: 5-[[2-[(3-methoxy-1-pyrrolidinyl)-oxomethyl]-7-thieno[3,2-b]pyridinyl]amino]-2-methyl-1-indolecarboxylic acid IUPAC Name: 5-[[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxylic acid Traditional Name: 5-[[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-2-methyl-indole-1-carboxylic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4S/c1-13-9-14-10-15(3-4-19(14)27(13)23(29)30)25-17-5-7-24-18-11-20(32-21(17)18)22(28)26-8-6-16(12-26)31-2/h3-5,7,9-11,16H,6,8,12H2,1-2H3,(H,24,25)(H,29,30)