1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]nipecotic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCCC(C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCCC(C5)C(=O)O

InChI

InChI=1S/C23H22N4O3S/c1-13-9-15-10-16(4-5-17(15)25-13)26-18-6-7-24-19-11-20(31-21(18)19)22(28)27-8-2-3-14(12-27)23(29)30/h4-7,9-11,14,25H,2-3,8,12H2,1H3,(H,24,26)(H,29,30)