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

Systemtic Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid CAS Name: 2-[[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid Traditional Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-carboxylic acid Formula: C22H21N5O3S MolecularWeight: 435.49884

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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)C5CNCCN5C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)C5CNCCN5C(=O)O

InChI

InChI=1S/C22H21N5O3S/c1-12-8-13-9-14(2-3-15(13)25-12)26-16-4-5-24-17-10-19(31-21(16)17)20(28)18-11-23-6-7-27(18)22(29)30/h2-5,8-10,18,23,25H,6-7,11H2,1H3,(H,24,26)(H,29,30)